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piperidine-4-carboxamide
piperidine-4-carboxamide
ID: BP-11768
CAS:39546-32-2
Supplier:BroadPharm

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SMILES:C(=O)(C1CCNCC1)N	
FORMULA: C6H12N2O
MASS: 128.1723
EXACT MASS: 128.0949630
INTERATOMIC DISTANCES

              C   1      N   2      O   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.7995     0.0000 
   O   3    0.6000     2.1629     0.0000 
   C   4    0.6010     1.1985     1.0398     0.0000 
   N   5    0.5975     2.1600     1.0378     1.0375     0.0000 
   C   6    1.5869     0.6000     1.7995     1.0375     2.0750     0.0000 
   C   7    1.5863     0.6010     2.0776     1.0378     1.7960     1.0398 
   C   8    1.0375     1.0398     1.1985     0.5975     1.5829     0.6010 
   C   9    1.0398     1.0375     1.5878     0.6000     1.1985     1.1985 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    1.2000     0.0000 
   C   9    0.5975     1.0378     0.0000 



ATOMIC CHARGES
   C   1    0.2603451260
   N   2   -0.2180247909
   O   3   -0.2716657991
   C   4    0.0827143729
   N   5   -0.0878050131
   C   6    0.0891899827
   C   7    0.0891899827
   C   8    0.0280280695
   C   9    0.0280280695


BOND ANGLES
   3    1    4   O2   C2   C3    119.944
   3    1    5   O2   C2  Nam    120.140
   4    1    5   C3   C2  Nam    119.917
   6    2    7   C3   N3   C3    119.944
   1    4    8   C2   C3   C3    119.917
   1    4    9   C2   C3   C3    119.944
   8    4    9   C3   C3   C3    120.140
   2    6    8   N3   C3   C3    119.944
   2    7    9   N3   C3   C3    119.917
   4    8    6   C3   C3   C3    119.917
   4    9    7   C3   C3   C3    120.140


TORSION ANGLES
   7    2    6    8      0.026
   8    4    1    3      0.026
   8    4    1    5    179.974
   9    4    1    3    179.974
   9    4    1    5      0.026
   2    6    8    4      0.026
   2    7    9    4      0.026
   6    8    4    1    179.974
   6    8    4    9      0.026
   7    9    4    1    179.974
   7    9    4    8      0.026
   9    7    2    6      0.026