
 CHEMBL344342

 48 50  0  0  0  0  0  0  0  0999 V2000
    0.6729    2.4717   -1.5938 C   0  0  0  0  0
   -0.8152    2.2139   -1.3225 C   0  0  0  0  0
   -1.2404    0.8001   -1.7360 C   0  0  0  0  0
   -0.3458   -0.1809   -1.1239 N   0  0  0  0  0
    1.0503   -0.0148   -1.5801 C   0  0  0  0  0
    1.5727    1.3390   -1.0732 C   0  0  0  0  0
    2.0392   -1.1811   -1.2950 C   0  0  0  0  0
    1.5923   -2.5247   -1.7299 N   0  0  0  0  0
    1.3964   -2.6266   -3.1825 C   0  0  0  0  0
    0.8425   -4.0080   -3.5827 C   0  0  0  0  0
    1.5446   -5.1383   -2.8919 C   0  0  0  0  0
    2.3407   -4.9069   -1.8394 C   0  0  0  0  0
    2.5643   -3.5343   -1.2650 C   0  0  0  0  0
   -0.5894   -0.6458    0.1748 C   0  0  0  0  0
    0.3096   -0.8805    0.9855 O   0  0  0  0  0
   -2.0413   -0.8532    0.5954 C   0  0  0  0  0
   -2.6695    0.3286    1.3066 C   0  0  0  0  0
   -1.9525    1.0884    2.2462 C   0  0  0  0  0
   -2.5456    2.1795    2.8928 C   0  0  0  0  0
   -3.8784    2.5043    2.6275 C   0  0  0  0  0
   -4.6113    1.7342    1.7209 C   0  0  0  0  0
   -4.0134    0.6511    1.0704 C   0  0  0  0  0
   -4.6785    3.8375    3.3816 Cl  0  0  0  0  0
   -1.5745    3.0857    3.9974 Cl  0  0  0  0  0
    0.8234    2.5748   -2.6757 H   0  0  0  0  0
    0.9740    3.4226   -1.1392 H   0  0  0  0  0
   -1.4223    2.9547   -1.8540 H   0  0  0  0  0
   -1.0009    2.3573   -0.2529 H   0  0  0  0  0
   -2.2825    0.6298   -1.4639 H   0  0  0  0  0
   -1.1751    0.6845   -2.8243 H   0  0  0  0  0
    0.9965    0.0645   -2.6744 H   0  0  0  0  0
    1.5858    1.3607    0.0234 H   0  0  0  0  0
    2.6000    1.5079   -1.4144 H   0  0  0  0  0
    2.2672   -1.2084   -0.2236 H   0  0  0  0  0
    2.9922   -0.9408   -1.7871 H   0  0  0  0  0
    2.3398   -2.4381   -3.7116 H   0  0  0  0  0
    0.6741   -1.8837   -3.5356 H   0  0  0  0  0
    0.9390   -4.1282   -4.6677 H   0  0  0  0  0
   -0.2261   -4.0651   -3.3412 H   0  0  0  0  0
    1.3915   -6.1474   -3.2605 H   0  0  0  0  0
    2.8587   -5.7315   -1.3598 H   0  0  0  0  0
    2.4973   -3.6085   -0.1733 H   0  0  0  0  0
    3.5915   -3.2345   -1.5136 H   0  0  0  0  0
   -2.0712   -1.7176    1.2719 H   0  0  0  0  0
   -2.6304   -1.1480   -0.2817 H   0  0  0  0  0
   -0.9169    0.8393    2.4738 H   0  0  0  0  0
   -5.6539    1.9703    1.5190 H   0  0  0  0  0
   -4.6076    0.0629    0.3731 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 36  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 12  2  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL344342

>  <PubChem CID>
15123217

>  <Formula>
C19H24Cl2N2O

>  <Molecular Weight>
367.314000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(C(C1)CN2CCC=CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
C1CCN(C(C1)CN2CCC=CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H24Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h1,3,7-8,12,16H,2,4-6,9-11,13-14H2

>  <InChI Key>
ADAPJJJJIQWICU-UHFFFAOYSA-N

