
 CHEMBL3901696

 60 62  0  0  0  0  0  0  0  0999 V2000
    0.8650    2.7007    0.7778 C   0  0  0  0  0
    2.1235    2.4239    1.5870 C   0  0  0  0  0
    2.9585    1.3984    0.9580 N   0  0  0  0  0
    2.6376    0.0053    1.2821 C   0  0  0  0  0
    3.3406   -0.4654    2.5452 C   0  0  0  0  0
    3.9385    1.6417   -0.0032 C   0  0  0  0  0
    4.5668    0.7195   -0.5291 O   0  0  0  0  0
    4.2539    3.0947   -0.3695 C   0  0  0  0  0
    4.7706    3.1948   -1.8133 C   0  0  0  0  0
    5.2288    4.6177   -2.1452 C   0  0  0  0  0
    6.2299    5.1560   -1.2100 N   0  0  0  0  0
    5.7187    5.0755    0.1680 C   0  0  0  0  0
    5.2914    3.6706    0.5996 C   0  0  0  0  0
    7.5387    4.5018   -1.4047 C   0  0  0  0  0
    8.6596    5.1112   -0.5883 C   0  0  0  0  0
    9.0052    4.5406    0.6493 C   0  0  0  0  0
    9.9828    5.1100    1.4638 C   0  0  0  0  0
   10.6691    6.2376    0.9993 C   0  0  0  0  0
   10.3531    6.8032   -0.2399 C   0  0  0  0  0
    9.3402    6.2522   -1.0240 C   0  0  0  0  0
   10.3124    4.6197    2.7470 N   0  0  0  0  0
    9.6809    3.5950    3.4326 C   0  0  0  0  0
    8.7022    2.9564    3.0563 O   0  0  0  0  0
   10.2296    3.2829    4.7863 C   0  0  0  0  0
   11.5690    3.5097    5.1306 C   0  0  0  0  0
   12.0234    3.1967    6.4166 C   0  0  0  0  0
   11.1477    2.6452    7.3518 C   0  0  0  0  0
    9.8202    2.3958    7.0135 C   0  0  0  0  0
    9.3630    2.7119    5.7320 C   0  0  0  0  0
   11.7147    2.2607    8.9293 Cl  0  0  0  0  0
    0.2826    3.5009    1.2440 H   0  0  0  0  0
    0.2317    1.8100    0.7173 H   0  0  0  0  0
    1.1058    3.0030   -0.2462 H   0  0  0  0  0
    1.8556    2.0898    2.5955 H   0  0  0  0  0
    2.6883    3.3503    1.7080 H   0  0  0  0  0
    2.9196   -0.6511    0.4516 H   0  0  0  0  0
    1.5522   -0.0863    1.3986 H   0  0  0  0  0
    4.4275   -0.4572    2.4159 H   0  0  0  0  0
    3.0323   -1.4869    2.7903 H   0  0  0  0  0
    3.0999    0.1754    3.3993 H   0  0  0  0  0
    3.3402    3.6950   -0.3246 H   0  0  0  0  0
    3.9724    2.8998   -2.5058 H   0  0  0  0  0
    5.5936    2.4907   -1.9847 H   0  0  0  0  0
    5.6096    4.6546   -3.1732 H   0  0  0  0  0
    4.3552    5.2832   -2.1370 H   0  0  0  0  0
    6.4359    5.4875    0.8854 H   0  0  0  0  0
    4.8487    5.7423    0.2448 H   0  0  0  0  0
    6.1610    3.0052    0.6582 H   0  0  0  0  0
    4.8874    3.7166    1.6170 H   0  0  0  0  0
    7.8291    4.5910   -2.4607 H   0  0  0  0  0
    7.4975    3.4243   -1.2057 H   0  0  0  0  0
    8.4669    3.6524    0.9626 H   0  0  0  0  0
   11.4489    6.7018    1.5964 H   0  0  0  0  0
   10.8870    7.6837   -0.5877 H   0  0  0  0  0
    9.0801    6.7136   -1.9740 H   0  0  0  0  0
   11.0198    5.1471    3.2389 H   0  0  0  0  0
   12.2831    3.8972    4.4099 H   0  0  0  0  0
   13.0634    3.3739    6.6793 H   0  0  0  0  0
    9.1377    1.9535    7.7347 H   0  0  0  0  0
    8.3253    2.5093    5.4700 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 48  1  0  0  0
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 14 15  1  0  0  0
 14 50  1  0  0  0
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 15 16  2  0  0  0
 15 20  1  0  0  0
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 17 18  2  0  0  0
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 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
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 26 27  2  0  0  0
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 28 29  2  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3901696

>  <PubChem CID>
129626129

>  <Formula>
C24H30ClN3O2

>  <Molecular Weight>
427.973000

>  <IUPAC Name>
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N,N-diethylpiperidine-4-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC)C(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CCN(CC)C(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C24H30ClN3O2/c1-3-28(4-2)24(30)20-12-14-27(15-13-20)17-18-6-5-7-22(16-18)26-23(29)19-8-10-21(25)11-9-19/h5-11,16,20H,3-4,12-15,17H2,1-2H3,(H,26,29)

>  <InChI Key>
AOCGNIQLFQCHQE-UHFFFAOYSA-N

