
 CHEMBL3361426

 46 47  0  0  0  0  0  0  0  0999 V2000
   -0.2239    1.3927    0.0654 C   0  0  0  0  0
   -1.6614    1.6428   -0.3844 C   0  0  0  0  0
   -2.0856    0.6386   -1.3586 N   0  0  0  0  0
   -2.0540   -0.6955   -0.7669 C   0  0  0  0  0
   -0.6586   -1.0585   -0.2695 C   0  0  0  0  0
   -0.0395   -0.0028    0.6947 C   0  0  0  0  0
    1.4751   -0.3489    0.8285 C   0  0  0  0  0
    1.7075   -1.6087    1.5104 N   0  0  0  0  0
    2.3557   -2.6804    0.9481 C   0  0  0  0  0
    2.8679   -2.6600   -0.1678 O   0  0  0  0  0
    2.4730   -3.8830    1.8819 C   0  0  0  0  0
    1.3098   -3.9085    2.7819 N   0  0  0  0  0
    1.3855   -4.5931    3.8574 C   0  0  0  0  0
    2.3967   -5.3244    4.3719 N   0  0  0  0  0
    0.3075   -4.6708    4.6671 N   0  0  0  0  0
   -0.7566   -0.0919    2.0012 N   0  0  0  0  0
   -0.3842    0.4235    3.2360 C   0  0  0  0  0
    0.5672    1.4251    3.4408 C   0  0  0  0  0
    0.8704    1.9054    4.7237 C   0  0  0  0  0
    0.1908    1.4196    5.8348 C   0  0  0  0  0
   -0.7969    0.4587    5.6566 C   0  0  0  0  0
   -1.0812   -0.0216    4.3736 C   0  0  0  0  0
    0.4356    1.4880   -0.8082 H   0  0  0  0  0
    0.0678    2.1919    0.7523 H   0  0  0  0  0
   -1.7187    2.6297   -0.8570 H   0  0  0  0  0
   -2.3457    1.6622    0.4723 H   0  0  0  0  0
   -3.0374    0.8473   -1.6608 H   0  0  0  0  0
   -2.7881   -0.7739    0.0431 H   0  0  0  0  0
   -2.3514   -1.4216   -1.5328 H   0  0  0  0  0
   -0.7048   -2.0435    0.2129 H   0  0  0  0  0
   -0.0072   -1.1749   -1.1469 H   0  0  0  0  0
    2.0201    0.4078    1.3960 H   0  0  0  0  0
    1.9451   -0.3760   -0.1619 H   0  0  0  0  0
    1.2463   -1.7745    2.4033 H   0  0  0  0  0
    3.4203   -3.7715    2.4196 H   0  0  0  0  0
    2.4880   -4.7918    1.2715 H   0  0  0  0  0
    3.3090   -5.1544    3.9700 H   0  0  0  0  0
    2.4343   -5.2719    5.3841 H   0  0  0  0  0
   -0.5056   -4.2852    4.1988 H   0  0  0  0  0
    0.1243   -5.6193    4.9713 H   0  0  0  0  0
   -1.2859   -0.9547    2.0929 H   0  0  0  0  0
    1.1107    1.8680    2.6158 H   0  0  0  0  0
    1.6361    2.6670    4.8474 H   0  0  0  0  0
    0.4202    1.7961    6.8265 H   0  0  0  0  0
   -1.3506    0.0848    6.5137 H   0  0  0  0  0
   -1.8672   -0.7664    4.2715 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  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 30  1  0  0  0
  5 31  1  0  0  0
  6 16  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3361426

>  <PubChem CID>
118724986

>  <Formula>
C15H24N6O

>  <Molecular Weight>
304.398000

>  <IUPAC Name>
N-[(4-anilinopiperidin-4-yl)methyl]-2-(diaminomethylideneamino)acetamide

>  <XlogP>
-0.2

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CNCCC1(CNC(=O)CN=C(N)N)NC2=CC=CC=C2

>  <Isomeric SMILES>
C1CNCCC1(CNC(=O)CN=C(N)N)NC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C15H24N6O/c16-14(17)19-10-13(22)20-11-15(6-8-18-9-7-15)21-12-4-2-1-3-5-12/h1-5,18,21H,6-11H2,(H,20,22)(H4,16,17,19)

>  <InChI Key>
QYFYAJUTKOUEQF-UHFFFAOYSA-N

