
 CHEMBL27545

 65 68  0  0  0  0  0  0  0  0999 V2000
    7.9226   -1.2221    0.5339 C   0  0  0  0  0
    6.5034   -0.7009    0.2942 C   0  0  0  0  0
    6.4946    0.5365   -0.6134 C   0  0  0  0  0
    6.7504    0.2087   -2.0827 C   0  0  0  0  0
    5.8717   -0.8622   -2.5602 N   0  0  0  0  0
    5.8971   -2.0846   -1.7563 C   0  0  0  0  0
    5.5859   -1.7849   -0.2906 C   0  0  0  0  0
    4.9776   -0.7929   -3.6336 C   0  0  0  0  0
    4.1464   -1.6740   -3.8596 O   0  0  0  0  0
    4.9776    0.3725   -4.5530 C   0  0  0  0  0
    6.1505    0.9150   -5.0763 C   0  0  0  0  0
    6.0949    2.0395   -5.9116 C   0  0  0  0  0
    4.8703    2.6131   -6.3084 C   0  0  0  0  0
    3.6996    1.9871   -5.8394 C   0  0  0  0  0
    3.7491    0.8898   -4.9690 C   0  0  0  0  0
    4.8185    3.8238   -7.1711 C   0  0  0  0  0
    5.8403    4.1283   -8.0881 C   0  0  0  0  0
    5.8016    5.2904   -8.8713 C   0  0  0  0  0
    4.7397    6.1855   -8.7708 C   0  0  0  0  0
    3.7017    5.8927   -7.8936 C   0  0  0  0  0
    3.7483    4.7349   -7.1005 C   0  0  0  0  0
    4.8278    7.2801   -9.5839 O   0  0  0  0  0
    4.0229    8.4228   -9.2723 C   0  0  0  0  0
    4.6627    9.2324   -8.1451 C   0  0  0  0  0
    3.8507   10.4700   -7.7513 C   0  0  0  0  0
    2.4894   10.1821   -7.2715 N   0  0  0  0  0
    2.4521    9.3985   -6.0146 C   0  0  0  0  0
    2.8871   10.1884   -4.7698 C   0  0  0  0  0
    2.0908   11.3676   -4.6019 O   0  0  0  0  0
    2.1602   12.1998   -5.7658 C   0  0  0  0  0
    1.7338   11.4376   -7.0345 C   0  0  0  0  0
    7.9065   -2.0678    1.2290 H   0  0  0  0  0
    8.5490   -0.4407    0.9776 H   0  0  0  0  0
    8.4081   -1.5547   -0.3875 H   0  0  0  0  0
    6.1026   -0.4056    1.2719 H   0  0  0  0  0
    7.2311    1.2723   -0.2663 H   0  0  0  0  0
    5.5106    1.0158   -0.5326 H   0  0  0  0  0
    6.6123    1.1306   -2.6486 H   0  0  0  0  0
    7.7827   -0.1252   -2.2350 H   0  0  0  0  0
    5.1845   -2.8256   -2.1327 H   0  0  0  0  0
    6.8937   -2.5249   -1.8619 H   0  0  0  0  0
    4.5462   -1.4369   -0.2164 H   0  0  0  0  0
    5.6549   -2.7044    0.3008 H   0  0  0  0  0
    7.1173    0.4822   -4.8338 H   0  0  0  0  0
    7.0392    2.4681   -6.2395 H   0  0  0  0  0
    2.7185    2.3387   -6.1505 H   0  0  0  0  0
    2.8221    0.4367   -4.6224 H   0  0  0  0  0
    6.6881    3.4624   -8.2201 H   0  0  0  0  0
    6.6162    5.4983   -9.5610 H   0  0  0  0  0
    2.8325    6.5353   -7.7964 H   0  0  0  0  0
    2.9240    4.5693   -6.4121 H   0  0  0  0  0
    2.9801    8.1516   -9.0835 H   0  0  0  0  0
    4.0065    9.0396  -10.1786 H   0  0  0  0  0
    5.6585    9.5560   -8.4752 H   0  0  0  0  0
    4.8553    8.6003   -7.2714 H   0  0  0  0  0
    3.7799   11.1082   -8.6419 H   0  0  0  0  0
    4.4267   11.0379   -7.0125 H   0  0  0  0  0
    3.0343    8.4772   -6.0988 H   0  0  0  0  0
    1.4131    9.0749   -5.8687 H   0  0  0  0  0
    2.7496    9.5701   -3.8774 H   0  0  0  0  0
    3.9460   10.4683   -4.8140 H   0  0  0  0  0
    1.4850   13.0464   -5.6021 H   0  0  0  0  0
    3.1742   12.6047   -5.8575 H   0  0  0  0  0
    0.6743   11.1662   -6.9338 H   0  0  0  0  0
    1.7956   12.0962   -7.9093 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 12 13  2  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 46  1  0  0  0
 15 47  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 49  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 50  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 23 53  1  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 24 55  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 25 57  1  0  0  0
 26 31  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 28 61  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 62  1  0  0  0
 30 63  1  0  0  0
 31 64  1  0  0  0
 31 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL27545

>  <PubChem CID>
44275830

>  <Formula>
C26H34N2O3

>  <Molecular Weight>
422.569000

>  <IUPAC Name>
(4-methylpiperidin-1-yl)-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methanone

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCN4CCOCC4

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C26H34N2O3/c1-21-11-14-28(15-12-21)26(29)24-5-3-22(4-6-24)23-7-9-25(10-8-23)31-18-2-13-27-16-19-30-20-17-27/h3-10,21H,2,11-20H2,1H3

>  <InChI Key>
AMLBLZKKHJTHSR-UHFFFAOYSA-N

