
 CHEMBL1916231

 61 63  0  0  0  0  0  0  0  0999 V2000
    1.1939    4.7573   -7.1252 C   0  0  0  0  0
    2.5988    4.3915   -6.6793 C   0  0  0  0  0
    2.6970    4.2817   -5.2554 O   0  0  0  0  0
    2.8688    5.4605   -4.5805 C   0  0  0  0  0
    2.7375    6.5608   -5.1088 O   0  0  0  0  0
    3.2519    5.2785   -3.2561 N   0  0  0  0  0
    3.6726    6.4818   -2.5399 C   0  0  0  0  0
    4.3736    6.2746   -1.2044 C   0  0  0  0  0
    5.2629    5.0206   -1.1882 C   0  0  0  0  0
    4.2700    3.8665   -1.4192 C   0  0  0  0  0
    3.6032    3.9431   -2.7836 C   0  0  0  0  0
    6.4100    5.0616   -2.1417 N   0  0  0  0  0
    7.1707    3.7983   -2.1312 C   0  0  0  0  0
    8.3480    3.8154   -3.1052 C   0  0  0  0  0
    9.3099    4.9431   -2.7798 C   0  0  0  0  0
    8.5753    6.2824   -2.7556 C   0  0  0  0  0
    7.3069    6.2117   -1.8678 C   0  0  0  0  0
    9.4983    7.3160   -2.2861 N   0  0  0  0  0
    9.4910    8.6076   -2.7726 C   0  0  0  0  0
    8.6939    8.9994   -3.6135 O   0  0  0  0  0
   10.5592    9.4992   -2.1390 C   0  0  0  0  0
   11.0599   10.5858   -3.1002 C   0  0  0  0  0
   10.1427   11.8021   -3.2036 C   0  0  0  0  0
    9.7806   12.3536   -1.8313 C   0  0  0  0  0
    9.1549   11.2756   -0.9539 C   0  0  0  0  0
   10.0781   10.0682   -0.7986 C   0  0  0  0  0
    1.1234    4.7520   -8.2181 H   0  0  0  0  0
    0.9083    5.7516   -6.7702 H   0  0  0  0  0
    0.4624    4.0493   -6.7248 H   0  0  0  0  0
    3.3377    5.1043   -7.0679 H   0  0  0  0  0
    2.8641    3.4117   -7.0910 H   0  0  0  0  0
    2.7716    7.0883   -2.3799 H   0  0  0  0  0
    4.3220    7.0654   -3.2026 H   0  0  0  0  0
    4.9258    7.1788   -0.9271 H   0  0  0  0  0
    3.6086    6.1697   -0.4223 H   0  0  0  0  0
    5.6645    4.9112   -0.1727 H   0  0  0  0  0
    4.7390    2.8857   -1.2861 H   0  0  0  0  0
    3.4922    3.9110   -0.6442 H   0  0  0  0  0
    4.2545    3.4780   -3.5342 H   0  0  0  0  0
    2.6759    3.3536   -2.7676 H   0  0  0  0  0
    6.5331    2.9641   -2.4385 H   0  0  0  0  0
    7.5361    3.5790   -1.1193 H   0  0  0  0  0
    8.8782    2.8567   -3.0564 H   0  0  0  0  0
    7.9803    3.9233   -4.1331 H   0  0  0  0  0
    9.7820    4.7505   -1.8072 H   0  0  0  0  0
   10.1204    4.9691   -3.5185 H   0  0  0  0  0
    8.2666    6.5311   -3.7800 H   0  0  0  0  0
    7.6132    6.1967   -0.8126 H   0  0  0  0  0
    6.7643    7.1506   -2.0290 H   0  0  0  0  0
   10.0989    7.1005   -1.5013 H   0  0  0  0  0
   11.4174    8.8437   -1.9358 H   0  0  0  0  0
   11.2185   10.1662   -4.1009 H   0  0  0  0  0
   12.0424   10.9280   -2.7481 H   0  0  0  0  0
   10.6387   12.5814   -3.7937 H   0  0  0  0  0
    9.2270   11.5374   -3.7445 H   0  0  0  0  0
   10.6812   12.7493   -1.3451 H   0  0  0  0  0
    9.0839   13.1917   -1.9435 H   0  0  0  0  0
    8.9326   11.6946    0.0344 H   0  0  0  0  0
    8.1987   10.9590   -1.3865 H   0  0  0  0  0
   10.9552   10.3763   -0.2154 H   0  0  0  0  0
    9.5647    9.2990   -0.2097 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  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
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 47  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 26  1  0  0  0
 21 22  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 23 55  1  0  0  0
 24 25  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 26  1  0  0  0
 25 58  1  0  0  0
 25 59  1  0  0  0
 26 60  1  0  0  0
 26 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1916231

>  <PubChem CID>
46872062

>  <Formula>
C20H35N3O3

>  <Molecular Weight>
365.518000

>  <IUPAC Name>
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC(=O)N1CCC(CC1)N2CCCC(C2)NC(=O)C3CCCCC3

>  <Isomeric SMILES>
CCOC(=O)N1CCC(CC1)N2CCC[C@H](C2)NC(=O)C3CCCCC3

>  <InChI Std. ID>
InChI=1S/C20H35N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,21,24)/t17-/m1/s1

>  <InChI Key>
NWXCHPFLJBTGEW-QGZVFWFLSA-N

