
 CHEMBL220189

 47 49  0  0  0  0  0  0  0  0999 V2000
    9.7442   -3.1504   -4.7828 C   0  0  0  0  0
    9.4968   -4.1684   -3.7088 C   0  0  0  0  0
   10.4757   -5.1129   -3.3783 C   0  0  0  0  0
   10.2566   -6.0296   -2.3483 C   0  0  0  0  0
    9.0561   -6.0095   -1.6382 C   0  0  0  0  0
    8.0671   -5.0730   -1.9586 C   0  0  0  0  0
    8.2989   -4.1422   -2.9811 C   0  0  0  0  0
    6.7966   -5.0866   -1.1822 C   0  0  0  0  0
    6.7764   -5.5184   -0.0346 O   0  0  0  0  0
    5.6812   -4.6316   -1.8427 N   0  0  0  0  0
    4.3980   -4.5948   -1.2201 C   0  0  0  0  0
    3.4097   -4.6821   -2.2980 N   0  0  0  0  0
    2.0900   -4.3437   -1.7347 C   0  0  0  0  0
    0.9717   -4.4798   -2.7680 C   0  0  0  0  0
    0.8824   -5.9154   -3.3200 C   0  0  0  0  0
    2.2706   -6.2605   -3.8872 C   0  0  0  0  0
    3.4015   -6.0409   -2.8735 C   0  0  0  0  0
    0.2841   -6.9000   -2.3124 C   0  0  0  0  0
    0.9140   -8.0939   -1.9284 C   0  0  0  0  0
    0.3440   -8.9421   -0.9737 C   0  0  0  0  0
   -0.8850   -8.6297   -0.4042 C   0  0  0  0  0
   -1.5522   -7.4769   -0.8023 C   0  0  0  0  0
   -0.9773   -6.6269   -1.7515 C   0  0  0  0  0
   10.4951   -3.5039   -5.4967 H   0  0  0  0  0
   10.0941   -2.2141   -4.3375 H   0  0  0  0  0
    8.8257   -2.9553   -5.3469 H   0  0  0  0  0
   11.4205   -5.1368   -3.9173 H   0  0  0  0  0
   11.0233   -6.7577   -2.0958 H   0  0  0  0  0
    8.8913   -6.7256   -0.8354 H   0  0  0  0  0
    7.5638   -3.3743   -3.2052 H   0  0  0  0  0
    5.7055   -4.3345   -2.8035 H   0  0  0  0  0
    4.3376   -3.6280   -0.7071 H   0  0  0  0  0
    4.2926   -5.3887   -0.4710 H   0  0  0  0  0
    2.1037   -3.3007   -1.3942 H   0  0  0  0  0
    1.8637   -4.9650   -0.8583 H   0  0  0  0  0
    0.0263   -4.1496   -2.3250 H   0  0  0  0  0
    1.1686   -3.7888   -3.5995 H   0  0  0  0  0
    0.1843   -5.9102   -4.1692 H   0  0  0  0  0
    2.2994   -7.2877   -4.2688 H   0  0  0  0  0
    2.4602   -5.6157   -4.7571 H   0  0  0  0  0
    3.3469   -6.7898   -2.0766 H   0  0  0  0  0
    4.3448   -6.2209   -3.4042 H   0  0  0  0  0
    1.8647   -8.3997   -2.3535 H   0  0  0  0  0
    0.8653   -9.8490   -0.6774 H   0  0  0  0  0
   -1.3250   -9.2885    0.3390 H   0  0  0  0  0
   -2.5219   -7.2360   -0.3749 H   0  0  0  0  0
   -1.5337   -5.7411   -2.0503 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 30  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL220189

>  <PubChem CID>
16094664

>  <Formula>
C20H24N2O

>  <Molecular Weight>
308.425000

>  <IUPAC Name>
3-methyl-N-[(4-phenylpiperidin-1-yl)methyl]benzamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC(=C1)C(=O)NCN2CCC(CC2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C(=O)NCN2CCC(CC2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H24N2O/c1-16-6-5-9-19(14-16)20(23)21-15-22-12-10-18(11-13-22)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)

>  <InChI Key>
ALZFDRFMVFNHJV-UHFFFAOYSA-N

