
 CHEMBL1916227

 55 57  0  0  0  0  0  0  0  0999 V2000
    2.9895    4.4873    5.1294 C   0  0  0  0  0
    1.9625    5.0004    4.1386 C   0  0  0  0  0
    2.5445    4.9267    2.8317 O   0  0  0  0  0
    3.0068    6.0850    2.2915 C   0  0  0  0  0
    2.8021    7.1944    2.7715 O   0  0  0  0  0
    3.7616    5.8554    1.1433 N   0  0  0  0  0
    4.3474    4.5345    0.9158 C   0  0  0  0  0
    4.8083    4.3348   -0.5241 C   0  0  0  0  0
    5.7579    5.4625   -0.9866 C   0  0  0  0  0
    4.9394    6.7643   -0.8437 C   0  0  0  0  0
    4.4876    6.9964    0.5948 C   0  0  0  0  0
    7.0458    5.4950   -0.2408 N   0  0  0  0  0
    7.7761    4.2155   -0.2302 C   0  0  0  0  0
    8.3070    3.8176   -1.6064 C   0  0  0  0  0
    9.2350    4.8902   -2.1634 C   0  0  0  0  0
    8.6385    6.3021   -2.0757 C   0  0  0  0  0
    7.9748    6.5537   -0.6979 C   0  0  0  0  0
    9.7050    7.2703   -2.3330 N   0  0  0  0  0
    9.4549    8.5381   -2.8137 C   0  0  0  0  0
    8.3354    8.9403   -3.1008 O   0  0  0  0  0
   10.6428    9.4351   -2.9427 C   0  0  0  0  0
   11.9454    8.9329   -3.0486 C   0  0  0  0  0
   13.0141    9.8166   -3.1566 C   0  0  0  0  0
   12.8153   11.1919   -3.1768 C   0  0  0  0  0
   11.5198   11.6984   -3.0940 C   0  0  0  0  0
   10.4357   10.8222   -2.9792 C   0  0  0  0  0
   14.2587    9.3295   -3.2470 F   0  0  0  0  0
    2.5929    4.4918    6.1475 H   0  0  0  0  0
    3.8962    5.1005    5.0967 H   0  0  0  0  0
    3.2910    3.4660    4.8710 H   0  0  0  0  0
    1.6321    6.0105    4.4016 H   0  0  0  0  0
    1.0798    4.3531    4.1437 H   0  0  0  0  0
    3.6202    3.7528    1.1606 H   0  0  0  0  0
    5.1833    4.4225    1.6173 H   0  0  0  0  0
    5.2568    3.3435   -0.6439 H   0  0  0  0  0
    3.9244    4.3292   -1.1765 H   0  0  0  0  0
    5.9537    5.3104   -2.0547 H   0  0  0  0  0
    5.4853    7.6363   -1.2148 H   0  0  0  0  0
    4.0483    6.6868   -1.4825 H   0  0  0  0  0
    5.3445    7.1928    1.2500 H   0  0  0  0  0
    3.8437    7.8826    0.6324 H   0  0  0  0  0
    7.1725    3.4077    0.1936 H   0  0  0  0  0
    8.6231    4.3056    0.4646 H   0  0  0  0  0
    8.8564    2.8724   -1.5264 H   0  0  0  0  0
    7.4806    3.6377   -2.3031 H   0  0  0  0  0
   10.1793    4.8535   -1.6036 H   0  0  0  0  0
    9.4907    4.6580   -3.2046 H   0  0  0  0  0
    7.8791    6.4198   -2.8586 H   0  0  0  0  0
    8.7684    6.6425    0.0583 H   0  0  0  0  0
    7.4984    7.5391   -0.6822 H   0  0  0  0  0
   10.5874    7.1020   -1.8706 H   0  0  0  0  0
   12.1569    7.8702   -3.0744 H   0  0  0  0  0
   13.6686   11.8573   -3.2653 H   0  0  0  0  0
   11.3513   12.7724   -3.1202 H   0  0  0  0  0
    9.4257   11.2248   -2.9170 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  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 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 48  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 25 26  2  0  0  0
 25 54  1  0  0  0
 26 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1916227

>  <PubChem CID>
57398164

>  <Formula>
C20H28FN3O3

>  <Molecular Weight>
377.460000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)N1CCC(CC1)N2CCCC(C2)NC(=O)C3=CC(=CC=C3)F

>  <Isomeric SMILES>
CCOC(=O)N1CCC(CC1)N2CCC[C@H](C2)NC(=O)C3=CC(=CC=C3)F

>  <InChI Std. ID>
InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1

>  <InChI Key>
OYZLCGDWJHDELT-QGZVFWFLSA-N

