
 CHEMBL3183897

 51 53  0  0  0  0  0  0  0  0999 V2000
    3.0475    4.4172   -1.8083 C   0  0  0  0  0
    4.1314    3.7681   -1.1423 O   0  0  0  0  0
    3.7743    2.8736   -0.1734 C   0  0  0  0  0
    2.6211    2.6391    0.1434 O   0  0  0  0  0
    5.0157    2.2766    0.4117 C   0  0  0  0  0
    5.0003    1.1540    1.2635 C   0  0  0  0  0
    6.1662    0.6331    1.7441 N   0  0  0  0  0
    7.3422    1.1838    1.3891 C   0  0  0  0  0
    7.4464    2.2812    0.5674 C   0  0  0  0  0
    6.2689    2.8332    0.0813 C   0  0  0  0  0
    3.8091    0.5111    1.6754 N   0  0  0  0  0
    3.2672    1.1858    2.8680 C   0  0  0  0  0
    1.9566    0.5272    3.2992 C   0  0  0  0  0
    2.1053   -0.9774    3.5584 C   0  0  0  0  0
    2.7267   -1.6447    2.3013 C   0  0  0  0  0
    4.0242   -0.9408    1.8727 C   0  0  0  0  0
    2.9900   -3.0271    2.5930 O   0  0  0  0  0
    2.9110   -1.3580    4.7501 N   0  0  0  0  0
    2.4026   -0.9036    6.0548 C   0  0  0  0  0
    0.9987   -1.4250    6.4089 C   0  0  0  0  0
    0.9627   -2.9397    6.6090 C   0  0  0  0  0
    1.9672   -3.3861    7.6679 C   0  0  0  0  0
    3.3746   -2.8793    7.3665 C   0  0  0  0  0
    3.3934   -1.3645    7.1455 C   0  0  0  0  0
    2.4750    5.0296   -1.1052 H   0  0  0  0  0
    2.4069    3.6828   -2.3041 H   0  0  0  0  0
    3.4732    5.0756   -2.5715 H   0  0  0  0  0
    8.2238    0.6999    1.7977 H   0  0  0  0  0
    8.4135    2.6941    0.3042 H   0  0  0  0  0
    6.3455    3.7015   -0.5696 H   0  0  0  0  0
    3.0630    2.2430    2.6606 H   0  0  0  0  0
    3.9888    1.1558    3.6972 H   0  0  0  0  0
    1.5513    1.0403    4.1774 H   0  0  0  0  0
    1.2148    0.6661    2.5006 H   0  0  0  0  0
    1.1113   -1.4221    3.6805 H   0  0  0  0  0
    2.0045   -1.6154    1.4770 H   0  0  0  0  0
    4.7986   -1.1448    2.6252 H   0  0  0  0  0
    4.3739   -1.4001    0.9378 H   0  0  0  0  0
    3.1333   -3.0501    3.5631 H   0  0  0  0  0
    3.8649   -1.0076    4.6383 H   0  0  0  0  0
    2.3895    0.1924    6.0704 H   0  0  0  0  0
    0.2616   -1.1313    5.6546 H   0  0  0  0  0
    0.6739   -0.9425    7.3409 H   0  0  0  0  0
   -0.0452   -3.2440    6.9137 H   0  0  0  0  0
    1.1748   -3.4485    5.6612 H   0  0  0  0  0
    1.6501   -3.0106    8.6490 H   0  0  0  0  0
    1.9735   -4.4800    7.7350 H   0  0  0  0  0
    4.0403   -3.1358    8.1987 H   0  0  0  0  0
    3.7664   -3.3921    6.4802 H   0  0  0  0  0
    3.1368   -0.8667    8.0902 H   0  0  0  0  0
    4.4136   -1.0440    6.9000 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  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 30  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3183897

>  <PubChem CID>
60156209

>  <Formula>
C18H27N3O3

>  <Molecular Weight>
333.432000

>  <IUPAC Name>
methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC(=O)C1=C(N=CC=C1)N2CCC(C(C2)O)NC3CCCCC3

>  <Isomeric SMILES>
COC(=O)C1=C(N=CC=C1)N2CCC(C(C2)O)NC3CCCCC3

>  <InChI Std. ID>
InChI=1S/C18H27N3O3/c1-24-18(23)14-8-5-10-19-17(14)21-11-9-15(16(22)12-21)20-13-6-3-2-4-7-13/h5,8,10,13,15-16,20,22H,2-4,6-7,9,11-12H2,1H3

>  <InChI Key>
AJNIGLAHOWKSPB-UHFFFAOYSA-N

