
 CHEMBL1222420

 48 50  0  0  0  0  0  0  0  0999 V2000
   -0.5738   -3.4437   -5.4971 C   0  0  0  0  0
    0.8235   -3.5636   -5.0864 N   0  0  0  0  0
    1.7162   -2.7492   -5.9359 C   0  0  0  0  0
    1.6646   -1.2296   -5.6693 C   0  0  0  0  0
    1.8495   -0.9361   -4.2443 N   0  0  0  0  0
    0.9419   -1.6836   -3.3684 C   0  0  0  0  0
    1.0101   -3.1967   -3.6633 C   0  0  0  0  0
    2.8626   -0.1771   -3.6766 C   0  0  0  0  0
    3.0040   -0.1011   -2.4550 O   0  0  0  0  0
    3.7933    0.6023   -4.6154 C   0  0  0  0  0
    3.0261    1.7649   -5.2658 C   0  0  0  0  0
    3.9691    2.9029   -5.6449 C   0  0  0  0  0
    4.6182    3.5092   -4.4730 N   0  0  0  0  0
    4.8525    2.5485   -3.3799 C   0  0  0  0  0
    5.0454    1.1155   -3.8739 C   0  0  0  0  0
    5.8578    4.2188   -4.8358 C   0  0  0  0  0
    5.6634    5.3021   -5.8740 C   0  0  0  0  0
    4.7739    6.3581   -5.6529 C   0  0  0  0  0
    4.6231    7.3189   -6.6400 C   0  0  0  0  0
    5.2940    7.3054   -7.8120 N   0  0  0  0  0
    6.1538    6.2830   -8.0034 C   0  0  0  0  0
    6.3715    5.2729   -7.0791 C   0  0  0  0  0
   -1.2045   -4.1074   -4.8956 H   0  0  0  0  0
   -0.6925   -3.7631   -6.5386 H   0  0  0  0  0
   -0.9668   -2.4262   -5.4078 H   0  0  0  0  0
    1.5156   -2.9444   -6.9962 H   0  0  0  0  0
    2.7440   -3.0925   -5.7595 H   0  0  0  0  0
    2.4170   -0.7482   -6.2914 H   0  0  0  0  0
    0.6904   -0.8193   -5.9596 H   0  0  0  0  0
    1.1676   -1.5098   -2.3121 H   0  0  0  0  0
   -0.0697   -1.3013   -3.5475 H   0  0  0  0  0
    1.9986   -3.5638   -3.3563 H   0  0  0  0  0
    0.2854   -3.7310   -3.0369 H   0  0  0  0  0
    4.1615   -0.0943   -5.3769 H   0  0  0  0  0
    2.2445    2.1425   -4.5921 H   0  0  0  0  0
    2.5056    1.4254   -6.1671 H   0  0  0  0  0
    4.7128    2.5085   -6.3510 H   0  0  0  0  0
    3.3919    3.6682   -6.1759 H   0  0  0  0  0
    5.7094    2.8464   -2.7629 H   0  0  0  0  0
    3.9860    2.5839   -2.7075 H   0  0  0  0  0
    5.9035    1.0877   -4.5591 H   0  0  0  0  0
    5.3153    0.4630   -3.0352 H   0  0  0  0  0
    6.6158    3.5027   -5.1799 H   0  0  0  0  0
    6.2753    4.7098   -3.9465 H   0  0  0  0  0
    4.1977    6.4186   -4.7350 H   0  0  0  0  0
    3.9345    8.1486   -6.5101 H   0  0  0  0  0
    6.6818    6.2950   -8.9525 H   0  0  0  0  0
    7.0762    4.4793   -7.3028 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  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>
CHEMBL1222420

>  <PubChem CID>
49864752

>  <Formula>
C17H26N4O

>  <Molecular Weight>
302.422000

>  <IUPAC Name>
(4-methylpiperazin-1-yl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=NC=C3

>  <Isomeric SMILES>
CN1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=NC=C3

>  <InChI Std. ID>
InChI=1S/C17H26N4O/c1-19-10-12-21(13-11-19)17(22)16-4-8-20(9-5-16)14-15-2-6-18-7-3-15/h2-3,6-7,16H,4-5,8-14H2,1H3

>  <InChI Key>
AMXIWGVKXSBUBW-UHFFFAOYSA-N

