-ISIS-  08251614582D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.8875   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.3958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8583   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3958    1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 16  1  0  0  0  0
  5  1  2  0  0  0  0
  6 19  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10 14  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 10 15  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
>  <ID> (STK039420)
STK039420

>  <Rotatable_Bonds> (STK039420)
3

>  <logP> (STK039420)
0.83

>  <PSA> (STK039420)
73.47

>  <H_Donors> (STK039420)
3

>  <H_Acceptors> (STK039420)
2

>  <Number_of_rings> (STK039420)
2

>  <NAME> (STK039420)
N-(4-methylphenyl)-N'-[2-(piperazin-1-yl)ethyl]ethanediamide

>  <Mol_Weight> (STK039420)
290.37

>  <Mol_Formula> (STK039420)
C15H22N4O2

>  <Smiles> (STK039420)
O=C(C(=O)Nc1ccc(cc1)C)NCCN1CCNCC1

$$$$