
 CHEMBL1916234

 55 57  0  0  0  0  0  0  0  0999 V2000
   12.3642    4.1150   -3.9905 C   0  0  0  0  0
   10.9625    4.4749   -4.4454 C   0  0  0  0  0
   10.1965    4.7972   -3.2821 O   0  0  0  0  0
    9.6078    3.7493   -2.6422 C   0  0  0  0  0
    9.4814    2.6328   -3.1303 O   0  0  0  0  0
    9.2248    4.0856   -1.3537 N   0  0  0  0  0
    8.5073    3.0803   -0.5817 C   0  0  0  0  0
    8.0036    3.5041    0.7932 C   0  0  0  0  0
    7.6585    5.0012    0.8774 C   0  0  0  0  0
    8.9915    5.7039    0.5789 C   0  0  0  0  0
    9.4719    5.4290   -0.8366 C   0  0  0  0  0
    6.5569    5.4246   -0.0229 N   0  0  0  0  0
    5.3072    4.6663    0.1493 C   0  0  0  0  0
    4.5933    4.9677    1.4674 C   0  0  0  0  0
    4.2958    6.4580    1.6015 C   0  0  0  0  0
    5.5434    7.3137    1.3513 C   0  0  0  0  0
    6.2522    6.8709    0.0495 C   0  0  0  0  0
    5.1653    8.7217    1.3021 N   0  0  0  0  0
    6.0291    9.7388    1.6227 C   0  0  0  0  0
    7.1920    9.5382    1.9679 O   0  0  0  0  0
    5.5182   11.1401    1.4850 C   0  0  0  0  0
    6.4916   12.1320    1.2637 C   0  0  0  0  0
    6.1319   13.4717    1.0989 C   0  0  0  0  0
    4.7943   13.8442    1.1579 C   0  0  0  0  0
    3.8177   12.8773    1.3927 C   0  0  0  0  0
    4.1701   11.5298    1.5622 C   0  0  0  0  0
    2.8616   10.4470    1.8941 Cl  0  0  0  0  0
   13.0348    3.9728   -4.8413 H   0  0  0  0  0
   12.3517    3.1956   -3.3934 H   0  0  0  0  0
   12.7677    4.9012   -3.3433 H   0  0  0  0  0
   10.5050    3.6737   -5.0372 H   0  0  0  0  0
   10.9922    5.3706   -5.0744 H   0  0  0  0  0
    9.1807    2.2221   -0.4666 H   0  0  0  0  0
    7.6665    2.7270   -1.1917 H   0  0  0  0  0
    7.1692    2.8660    1.1020 H   0  0  0  0  0
    8.7939    3.2901    1.5270 H   0  0  0  0  0
    7.3939    5.2187    1.9189 H   0  0  0  0  0
    8.9446    6.7827    0.7582 H   0  0  0  0  0
    9.7516    5.3373    1.2832 H   0  0  0  0  0
    9.0134    6.1463   -1.5296 H   0  0  0  0  0
   10.5550    5.6004   -0.8839 H   0  0  0  0  0
    5.4703    3.5893    0.0460 H   0  0  0  0  0
    4.6349    4.9176   -0.6827 H   0  0  0  0  0
    3.6538    4.4056    1.5111 H   0  0  0  0  0
    5.1992    4.6314    2.3168 H   0  0  0  0  0
    3.5118    6.7275    0.8812 H   0  0  0  0  0
    3.8868    6.6705    2.5958 H   0  0  0  0  0
    6.2357    7.1886    2.1927 H   0  0  0  0  0
    5.6048    7.1190   -0.8041 H   0  0  0  0  0
    7.1470    7.4779   -0.1227 H   0  0  0  0  0
    4.2493    8.9545    0.9350 H   0  0  0  0  0
    7.5454   11.8596    1.2130 H   0  0  0  0  0
    6.9006   14.2224    0.9248 H   0  0  0  0  0
    4.5099   14.8863    1.0302 H   0  0  0  0  0
    2.7747   13.1838    1.4508 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 48  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 23 24  2  0  0  0
 23 53  1  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 25 26  2  0  0  0
 25 55  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1916234

>  <PubChem CID>
46873655

>  <Formula>
C20H28ClN3O3

>  <Molecular Weight>
393.912000

>  <IUPAC Name>
ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC(=O)N1CCC(CC1)N2CCCC(C2)NC(=O)C3=CC=CC=C3Cl

>  <Isomeric SMILES>
CCOC(=O)N1CCC(CC1)N2CCC[C@H](C2)NC(=O)C3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C20H28ClN3O3/c1-2-27-20(26)23-12-9-16(10-13-23)24-11-5-6-15(14-24)22-19(25)17-7-3-4-8-18(17)21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)/t15-/m1/s1

>  <InChI Key>
VSYRZNVEBYAZBF-OAHLLOKOSA-N

