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N-(3-pyridyl)piperidine-4-carboxamide
N-(3-pyridyl)piperidine-4-carboxamide ID: AN-27375
CAS:779999-14-3
Supplier:AN PharmaTech Co Ltd

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SMILES:O=C(Nc1cccnc1)C1CCNCC1	13937706
FORMULA: C11H15N3O
MASS: 205.2563
EXACT MASS: 205.1215121
INTERATOMIC DISTANCES

              O   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    3.6055     0.0000 
   N   3    1.7320     3.6055     0.0000 
   N   4    2.6457     6.0000     2.6457     0.0000 
   C   5    1.7320     2.0000     1.7320     4.0000     0.0000 
   C   6    2.0000     1.7320     2.6457     4.5826     1.0000     0.0000 
   C   7    2.6457     1.7320     2.0000     4.5826     1.0000     1.7320 
   C   8    3.0000     1.0000     3.4641     5.5678     1.7320     1.0000 
   C   9    3.4641     1.0000     3.0000     5.5678     1.7320     2.0000 
   C  10    1.0000     3.0000     1.0000     3.0000     1.0000     1.7320 
   C  11    2.0000     4.5826     1.0000     1.7320     2.6457     3.4641 
   C  12    3.0000     5.2915     1.7321     2.0000     3.4641     4.3589 
   C  13    1.7320     5.0000     1.7320     1.0000     3.0000     3.6055 
   C  14    3.6056     6.2450     2.6458     1.7321     4.3589     5.1962 
   C  15    3.4641     6.5574     3.0000     1.0000     4.5826     5.2915 
   H  16    1.8397     2.3716     1.2346     3.7289     0.6201     1.6200 
   H  17    1.4332     2.3451     2.4059     4.0630     1.0812     0.6200 
   H  18    2.1944     2.0295     3.1512     4.8385     1.5968     0.6200 
   H  19    3.1512     2.0295     2.1944     4.8385     1.5968     2.3451 
   H  20    2.4059     2.3451     1.4332     4.0630     1.0813     2.0295 
   H  21    2.9561     1.5968     3.7220     5.5908     2.0295     1.0812 
   H  22    3.5889     1.0812     4.0760     6.1774     2.3451     1.5967 
   H  23    4.0761     1.0813     3.5889     6.1774     2.3451     2.5068 
   H  24    3.7220     1.5968     2.9561     5.5908     2.0295     2.5068 
   H  25    4.2100     0.6200     4.2100     6.6200     2.6200     2.2901 
   H  26    2.2901     3.4849     0.6201     3.1408     1.8397     2.8292 
   H  27    3.3533     5.2100     1.8397     2.6200     3.5192     4.4726 
   H  28    1.2347     4.7206     1.8396     1.4158     2.7431     3.2069 
   H  29    4.2100     6.7056     3.1408     2.2901     4.8708     5.7415 
   H  30    4.0130     7.1725     3.6200     1.4158     5.1927     5.8808 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    1.7320     2.6457     2.6457     0.0000 
   C  11    3.0000     4.3589     4.0000     1.7320     0.0000 
   C  12    3.6056     5.1962     4.5826     2.6458     1.0001     0.0000 
   C  13    3.6055     4.5826     4.5826     2.0000     1.0000     1.7321 
   C  14    4.5826     6.0828     5.5678     3.4641     1.7321     1.0000 
   C  15    5.0000     6.2450     6.0000     3.6055     2.0000     1.7321 
   H  16    0.8743     2.2901     1.8397     0.8743     2.2146     2.9435 
   H  17    2.0294     1.5967     2.5067     1.4155     3.1021     4.0507 
   H  18    2.3451     1.0812     2.5068     2.1829     3.8917     4.8282 
   H  19    0.6200     2.5068     1.0812     2.1829     3.1671     3.6167 
   H  20    0.6200     2.5068     1.5967     1.4156     2.4267     2.9898 
   H  21    2.5068     0.6200     2.3451     2.8113     4.5429     5.4395 
   H  22    2.5067     0.6200     2.0294     3.2657     4.9779     5.8077 
   H  23    1.5967     2.0295     0.6200     3.2657     4.5875     5.1245 
   H  24    1.0812     2.3451     0.6200     2.8113     3.9399     4.3997 
   H  25    2.2901     1.4158     1.4158     3.6200     5.1927     5.8809 
   H  26    1.7733     3.5192     2.7431     1.4158     1.4158     1.8397 
   H  27    3.4849     5.2330     4.4187     2.8292     1.4158     0.6200 
   H  28    3.4849     4.2029     4.4186     1.7732     1.4157     2.2901 
   H  29    5.0104     6.6018     5.9770     4.0130     2.2901     1.4158 
   H  30    5.6200     6.8428     6.6200     4.2100     2.6200     2.2901 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.0000     0.0000 
   C  15    1.7320     1.0001     0.0000 
   H  16    2.7431     3.8787     4.2029     0.0000 
   H  17    3.1102     4.8211     4.8262     1.6309     0.0000 
   H  18    3.8982     5.6149     5.6193     2.2129     0.7971     0.0000 
   H  19    3.8982     4.6148     5.1441     1.3134     2.6462     2.9532 
   H  20    3.1102     3.9716     4.4225     0.5869     2.1561     2.6463 
   H  21    4.6339     6.2748     6.3409     2.6367     1.5278     0.7846 
   H  22    5.1957     6.7003     6.8637     2.8867     2.1652     1.5278 
   H  23    5.1957     6.1177     6.5860     2.4530     3.0556     2.9499 
   H  24    4.6339     5.3983     5.9239     1.9444     2.9498     3.0556 
   H  25    5.6200     6.8428     7.1725     2.9788     2.9097     2.4959 
   H  26    2.2901     2.8292     3.3533     1.2346     2.7169     3.3947 
   H  27    2.2901     1.4158     2.2901     2.9435     4.2428     4.9904 
   H  28    0.6200     2.6200     2.2900     2.6111     2.6630     3.4290 
   H  29    2.6200     0.6200     1.4158     4.3589     5.3920     6.1817 
   H  30    2.2901     1.4158     0.6200     4.8212     5.3995     6.1882 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    3.0556     2.9499     0.0000 
   H  22    2.9498     3.0556     0.7971     0.0000 
   H  23    1.5278     2.1652     2.6463     2.1561     0.0000 
   H  24    0.7846     1.5278     2.9532     2.6462     0.7971     0.0000 
   H  25    2.4959     2.9097     1.9203     1.2045     1.2046     1.9203 
   H  26    1.7992     1.1541     3.8679     4.1067     3.2887     2.5833 
   H  27    3.3916     2.8665     5.5403     5.8292     4.9189     4.1585 
   H  28    3.8638     3.0670     4.1891     4.8032     5.0384     4.5519 
   H  29    4.9811     4.3919     6.8224     7.2158     6.5026     5.7571 
   H  30    5.7602     5.0419     6.9208     7.4603     7.2057     6.5409 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    4.0601     0.0000 
   H  27    5.7745     1.7320     0.0000 
   H  28    5.3371     2.4522     2.8059     0.0000 
   H  29    7.2920     3.2380     1.6200     3.2400     0.0000 
   H  30    7.7883     3.9665     2.8059     2.8059     1.6200     0.0000 




ATOMIC CHARGES
   O   1   -0.2751674772
   N   2   -0.3159288202
   N   3   -0.2840141837
   N   4   -0.2614204204
   C   5    0.0381758395
   C   6   -0.0292697207
   C   7   -0.0292697207
   C   8   -0.0034109731
   C   9   -0.0034109731
   C  10    0.2204055326
   C  11    0.0516694809
   C  12   -0.0375663740
   C  13    0.0487401715
   C  14   -0.0418427126
   C  15    0.0276768200
   H  16    0.0394969564
   H  17    0.0284716050
   H  18    0.0284716050
   H  19    0.0284716050
   H  20    0.0284716050
   H  21    0.0424178324
   H  22    0.0424178324
   H  23    0.0424178324
   H  24    0.0424178324
   H  25    0.1219357492
   H  26    0.1548541714
   H  27    0.0636988110
   H  28    0.0848328403
   H  29    0.0633224402
   H  30    0.0829348129


BOND ANGLES
   8    2    9   C3   N3   C3    119.999
   8    2   25   C3   N3   HC    120.001
   9    2   25   C3   N3   HC    120.001
  10    3   11   C2  Nam  Car    120.001
  10    3   26   C2  Nam   HC    120.002
  11    3   26  Car  Nam   HC    119.997
  13    4   15  Car  Nar  Car    120.001
   6    5    7   C3   C3   C3    119.999
   6    5   10   C3   C3   C2    120.001
   6    5   16   C3   C3   HC    179.974
   7    5   10   C3   C3   C2    120.001
   7    5   16   C3   C3   HC     59.998
  10    5   16   C2   C3   HC     60.003
   5    6    8   C3   C3   C3    120.001
   5    6   17   C3   C3   HC     79.995
   5    6   18   C3   C3   HC    160.002
   8    6   17   C3   C3   HC    160.004
   8    6   18   C3   C3   HC     79.997
  17    6   18   HC   C3   HC     80.007
   5    7    9   C3   C3   C3    120.001
   5    7   19   C3   C3   HC    160.002
   5    7   20   C3   C3   HC     80.004
   9    7   19   C3   C3   HC     79.997
   9    7   20   C3   C3   HC    159.996
  19    7   20   HC   C3   HC     79.999
   2    8    6   N3   C3   C3    120.001
   2    8   21   N3   C3   HC    160.002
   2    8   22   N3   C3   HC     79.995
   6    8   21   C3   C3   HC     79.997
   6    8   22   C3   C3   HC    160.004
  21    8   22   HC   C3   HC     80.007
   2    9    7   N3   C3   C3    120.001
   2    9   23   N3   C3   HC     80.004
   2    9   24   N3   C3   HC    160.002
   7    9   23   C3   C3   HC    159.996
   7    9   24   C3   C3   HC     79.997
  23    9   24   HC   C3   HC     79.999
   1   10    3   O2   C2  Nam    119.999
   1   10    5   O2   C2   C3    120.001
   3   10    5  Nam   C2   C3    120.001
   3   11   12  Nam  Car  Car    119.998
   3   11   13  Nam  Car  Car    120.001
  12   11   13  Car  Car  Car    120.001
  11   12   14  Car  Car  Car    119.998
  11   12   27  Car  Car   HC    120.000
  14   12   27  Car  Car   HC    120.002
   4   13   11  Nar  Car  Car    120.001
   4   13   28  Nar  Car   HC    120.002
  11   13   28  Car  Car   HC    119.998
  12   14   15  Car  Car  Car    119.998
  12   14   29  Car  Car   HC    120.002
  15   14   29  Car  Car   HC    120.000
   4   15   14  Nar  Car  Car    120.001
   4   15   30  Nar  Car   HC    120.001
  14   15   30  Car  Car   HC    119.998


TORSION ANGLES
   9    2    8    6      0.026
   9    2    8   21    179.974
   9    2    8   22    179.974
  25    2    8    6    179.974
  25    2    8   21      0.026
  25    2    8   22      0.026
   8    2    9    7      0.026
   8    2    9   23    179.974
   8    2    9   24    179.974
  25    2    9    7    179.974
  25    2    9   23      0.026
  25    2    9   24      0.026
  11    3   10    1      0.026
  11    3   10    5    179.974
  26    3   10    1    179.974
  26    3   10    5      0.026
  10    3   11   12    179.974
  10    3   11   13      0.026
  26    3   11   12      0.026
  26    3   11   13    179.974
  15    4   13   11      0.026
  15    4   13   28    179.974
  13    4   15   14      0.026
  13    4   15   30    179.974
   7    5    6    8      0.026
   7    5    6   17    179.974
   7    5    6   18    179.974
  10    5    6    8    179.974
  10    5    6   17      0.026
  10    5    6   18      0.026
  16    5    6    8      0.026
  16    5    6   17    179.974
  16    5    6   18    179.974
   6    5    7    9      0.026
   6    5    7   19    179.974
   6    5    7   20    179.974
  10    5    7    9    179.974
  10    5    7   19      0.026
  10    5    7   20      0.026
  16    5    7    9    179.974
  16    5    7   19      0.026
  16    5    7   20      0.026
   6    5   10    1      0.026
   6    5   10    3    179.974
   7    5   10    1    179.974
   7    5   10    3      0.026
  16    5   10    1    179.974
  16    5   10    3      0.026
   5    6    8    2      0.026
   5    6    8   21    179.974
   5    6    8   22    179.974
  17    6    8    2    179.974
  17    6    8   21      0.026
  17    6    8   22      0.026
  18    6    8    2    179.974
  18    6    8   21      0.026
  18    6    8   22      0.026
   5    7    9    2      0.026
   5    7    9   23    179.974
   5    7    9   24    179.974
  19    7    9    2    179.974
  19    7    9   23      0.026
  19    7    9   24      0.026
  20    7    9    2    179.974
  20    7    9   23      0.026
  20    7    9   24      0.026
   3   11   12   14    179.974
   3   11   12   27      0.026
  13   11   12   14      0.026
  13   11   12   27    179.974
   3   11   13    4    179.974
   3   11   13   28      0.026
  12   11   13    4      0.026
  12   11   13   28    179.974
  11   12   14   15      0.026
  11   12   14   29    179.974
  27   12   14   15    179.974
  27   12   14   29      0.026
  12   14   15    4      0.026
  12   14   15   30    179.974
  29   14   15    4    179.974
  29   14   15   30      0.026