
 SCHEMBL1990549

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.0076    1.5858   -3.9128 C   0  0  0  0  0
    1.0842    2.6312   -2.9503 O   0  0  0  0  0
    2.2852    2.7823   -2.3070 C   0  0  0  0  0
    2.2724    3.4111   -1.0523 C   0  0  0  0  0
    3.4609    3.6094   -0.3422 C   0  0  0  0  0
    4.6794    3.1914   -0.8802 C   0  0  0  0  0
    4.7057    2.5739   -2.1357 C   0  0  0  0  0
    3.5106    2.3838   -2.8497 C   0  0  0  0  0
    5.9823    2.1587   -2.7850 C   0  0  0  0  0
    6.0443    2.2230   -4.0074 O   0  0  0  0  0
    6.9628    1.6919   -1.9287 N   0  0  0  0  0
    8.2730    1.3025   -2.2818 C   0  0  0  0  0
    8.8269    1.4996   -3.5456 C   0  0  0  0  0
   10.1400    1.0995   -3.8177 C   0  0  0  0  0
   10.9355    0.4882   -2.8360 C   0  0  0  0  0
   10.3753    0.3008   -1.5677 C   0  0  0  0  0
    9.0624    0.7059   -1.2935 C   0  0  0  0  0
   12.3655    0.0989   -3.1923 C   0  0  0  0  0
   13.3197    1.2995   -3.0681 C   0  0  0  0  0
   13.7783    1.5195   -1.6284 C   0  0  0  0  0
   14.3573    0.2400   -1.0314 C   0  0  0  0  0
   13.3988   -0.8625   -1.0804 N   0  0  0  0  0
   12.9454   -1.1303   -2.4514 C   0  0  0  0  0
    0.7973    3.9581   -0.3343 Cl  0  0  0  0  0
   -0.0460    1.4490   -4.1735 H   0  0  0  0  0
    1.3759    0.6394   -3.5035 H   0  0  0  0  0
    1.5442    1.8551   -4.8285 H   0  0  0  0  0
    3.4399    4.1044    0.6259 H   0  0  0  0  0
    5.5939    3.3942   -0.3304 H   0  0  0  0  0
    3.5687    1.9394   -3.8397 H   0  0  0  0  0
    6.7054    1.5337   -0.9634 H   0  0  0  0  0
    8.2705    1.9773   -4.3445 H   0  0  0  0  0
   10.5396    1.2791   -4.8143 H   0  0  0  0  0
   10.9526   -0.1534   -0.7665 H   0  0  0  0  0
    8.6736    0.5418   -0.2923 H   0  0  0  0  0
   12.3396   -0.1870   -4.2545 H   0  0  0  0  0
   12.8650    2.2178   -3.4580 H   0  0  0  0  0
   14.2069    1.1055   -3.6860 H   0  0  0  0  0
   14.5375    2.3096   -1.6051 H   0  0  0  0  0
   12.9389    1.8712   -1.0172 H   0  0  0  0  0
   15.2786   -0.0400   -1.5569 H   0  0  0  0  0
   14.6289    0.4238    0.0136 H   0  0  0  0  0
   13.8314   -1.7044   -0.7007 H   0  0  0  0  0
   13.7990   -1.5141   -3.0253 H   0  0  0  0  0
   12.2025   -1.9363   -2.4264 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1990549

>  <PubChem CID>
67239041

>  <Formula>
C19H21ClN2O2

>  <Molecular Weight>
344.839000

>  <IUPAC Name>
4-chloro-3-methoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3CCCNC3)Cl

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)[C@H]3CCCNC3)Cl

>  <InChI Std. ID>
InChI=1S/C19H21ClN2O2/c1-24-18-11-14(6-9-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23)/t15-/m0/s1

>  <InChI Key>
BHRQCRFMVOTRQJ-HNNXBMFYSA-N

