Sign In Join Free

Products Information

6,7-dihydro-6-(piperidin-4-yl)pyrrolo[3,4-b]pyridin-5-one
6,7-dihydro-6-(piperidin-4-yl)pyrrolo[3,4-b]pyridin-5-one
ID: BP-11592
Supplier:BroadPharm

Get a quote


SMILES:C1(=O)N(Cc2c1cccn2)C1CCNCC1	
FORMULA: C12H15N3O
MASS: 217.2670
EXACT MASS: 217.1215121
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.5992     0.0000 
   C   3    0.5996     0.9724     0.0000 
   C   4    0.9694     0.9724     0.6000     0.0000 
   C   5    0.9709     0.6025     0.9727     0.6009     0.0000 
   C   6    1.0696     0.6000     1.5542     1.5542     1.0714     0.0000 
   O   7    0.5968     1.0631     1.0666     1.5484     1.5489     1.3001 
   N   8    1.5351     1.5615     1.0377     0.5974     1.0933     2.1279 
   N   9    2.2077     1.8000     2.7415     2.7415     2.2086     1.2000 
   C  10    1.0937     1.5615     0.5974     1.0377     1.5380     2.1279 
   C  11    1.6066     1.0398     2.0011     1.8383     1.2545     0.6010 
   C  12    1.2545     1.0378     1.8378     1.9994     1.6066     0.5975 
   C  13    2.1086     1.5878     2.5601     2.4350     1.8544     1.0398 
   C  14    1.8544     1.5865     2.4347     2.5588     2.1086     1.0378 
   C  15    1.7890     1.9853     1.1985     1.0375     1.6193     2.5800 
   C  16    1.6188     1.9853     1.0375     1.1985     1.7908     2.5800 

              O   7      N   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    2.0852     0.0000 
   N   9    2.2294     3.2967     0.0000 
   C  10    1.3521     1.2000     3.2967     0.0000 
   C  11    1.8987     2.3429     1.0398     2.5960     0.0000 
   C  12    1.1925     2.5942     1.0378     2.3431     1.0375     0.0000 
   C  13    2.2902     2.9427     0.6010     3.1479     0.6000     1.1985 
   C  14    1.7498     3.1464     0.5975     2.9428     1.1985     0.6000 
   C  15    2.2467     0.6011     3.7744     1.0399     2.8710     2.9767 
   C  16    1.9462     1.0399     3.7744     0.6011     2.9779     2.8707 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.0375     0.0000 
   C  15    3.4695     3.5575     0.0000 
   C  16    3.5585     3.4693     0.6000     0.0000 



ATOMIC CHARGES
   C   1    0.2504598320
   N   2   -0.2719024631
   C   3    0.0688200076
   C   4    0.0834114427
   C   5    0.1396060388
   C   6    0.0788763573
   O   7   -0.2698548749
   N   8   -0.2462930623
   N   9   -0.2179344964
   C  10    0.0073512556
   C  11    0.0386685330
   C  12    0.0386685330
   C  13    0.0904018259
   C  14    0.0904018259
   C  15    0.0985144239
   C  16    0.0208048211


BOND ANGLES
   2    1    3  Nam   C2  Car    108.414
   2    1    7  Nam   C2   O2    125.466
   3    1    7  Car   C2   O2    126.120
   1    2    5   C2  Nam   C3    107.783
   1    2    6   C2  Nam   C3    126.224
   5    2    6   C3  Nam   C3    125.993
   1    3    4   C2  Car  Car    107.809
   1    3   10   C2  Car  Car    132.046
   4    3   10  Car  Car  Car    120.145
   3    4    8  Car  Car  Nar    120.145
   3    4    5  Car  Car   C3    108.182
   5    4    8   C3  Car  Nar    131.674
   2    5    4  Nam   C3  Car    107.811
   2    6   11  Nam   C3   C3    119.944
   2    6   12  Nam   C3   C3    120.140
  11    6   12   C3   C3   C3    119.917
   4    8   15  Car  Nar  Car    119.917
  13    9   14   C3   N3   C3    119.917
   3   10   16  Car  Car  Car    119.917
   6   11   13   C3   C3   C3    119.944
   6   12   14   C3   C3   C3    120.140
   9   13   11   N3   C3   C3    119.944
   9   14   12   N3   C3   C3    120.140
   8   15   16  Nar  Car  Car    119.939
  10   16   15  Car  Car  Car    119.939


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    7    179.974
   6    2    1    3    179.974
   6    2    1    7      0.026
   4    3    1    2      0.026
   4    3    1    7    179.974
  10    3    1    2    179.974
  10    3    1    7      0.026
   8    4    3    1    179.974
   8    4    3   10      0.026
   5    4    3    1      0.026
   5    4    3   10    179.974
   4    5    2    1      0.026
   4    5    2    6    179.974
  11    6    2    1    179.974
  11    6    2    5      0.026
  12    6    2    1      0.026
  12    6    2    5    179.974
  15    8    4    3      0.026
  15    8    4    5    179.974
  13    9   14   12      0.026
  16   10    3    1    179.974
  16   10    3    4      0.026
  13   11    6    2    179.974
  13   11    6   12      0.026
  14   12    6    2    179.974
  14   12    6   11      0.026
   9   13   11    6      0.026
   9   14   12    6      0.026
   8   15   16   10      0.026
  15   16   10    3      0.026
   2    5    4    3      0.026
   2    5    4    8    179.974
   4    8   15   16      0.026
  14    9   13   11      0.026