
 CHEMBL313070

 59 61  0  0  0  0  0  0  0  0999 V2000
    5.2349    3.5805    6.2637 C   0  0  0  0  0
    5.1610    4.1746    4.8882 C   0  0  0  0  0
    4.9737    3.3629    3.7612 C   0  0  0  0  0
    4.8744    3.9169    2.4730 C   0  0  0  0  0
    4.9860    5.3077    2.3338 C   0  0  0  0  0
    5.1720    6.1230    3.4502 C   0  0  0  0  0
    5.2558    5.5597    4.7216 C   0  0  0  0  0
    4.7185    2.9893    1.2883 C   0  0  0  0  0
    4.0250    3.5596    0.1290 N   0  0  0  0  0
    2.5360    3.6048    0.0734 C   0  0  0  0  0
    1.9304    2.4699   -0.7717 C   0  0  0  0  0
    1.7032    1.1975    0.0321 C   0  0  0  0  0
    0.8570    1.4379    1.2002 N   0  0  0  0  0
    1.4569    2.4229    2.0977 C   0  0  0  0  0
    1.7648    3.7462    1.3994 C   0  0  0  0  0
    4.7104    3.9365   -1.0324 C   0  0  0  0  0
    4.1154    4.1501   -2.0904 O   0  0  0  0  0
    6.2230    4.1143   -0.9456 C   0  0  0  0  0
    6.8331    4.8235   -2.1626 C   0  0  0  0  0
    6.6753    6.3319   -2.2556 C   0  0  0  0  0
    5.5028    7.0026   -1.8811 C   0  0  0  0  0
    5.3465    8.3844   -2.0798 C   0  0  0  0  0
    6.3918    9.1087   -2.6701 C   0  0  0  0  0
    7.5759    8.4682   -3.0612 C   0  0  0  0  0
    7.7026    7.0837   -2.8499 C   0  0  0  0  0
    8.6978    9.2342   -3.7210 C   0  0  0  0  0
    9.8514    9.1910   -2.9990 F   0  0  0  0  0
    9.0087    8.7456   -4.9534 F   0  0  0  0  0
    8.4207   10.5555   -3.9028 F   0  0  0  0  0
    4.0575    9.0788   -1.7060 C   0  0  0  0  0
    4.2670   10.1632   -0.9081 F   0  0  0  0  0
    3.3815    9.5409   -2.7935 F   0  0  0  0  0
    3.1821    8.2855   -1.0275 F   0  0  0  0  0
    5.2768    2.4870    6.2270 H   0  0  0  0  0
    4.3523    3.8683    6.8437 H   0  0  0  0  0
    6.1350    3.9295    6.7801 H   0  0  0  0  0
    4.9005    2.2837    3.8891 H   0  0  0  0  0
    4.9151    5.7778    1.3565 H   0  0  0  0  0
    5.2490    7.2005    3.3278 H   0  0  0  0  0
    5.3963    6.2080    5.5837 H   0  0  0  0  0
    4.1936    2.0745    1.5704 H   0  0  0  0  0
    5.7218    2.6591    1.0039 H   0  0  0  0  0
    2.3281    4.5347   -0.4763 H   0  0  0  0  0
    2.5468    2.2387   -1.6464 H   0  0  0  0  0
    0.9612    2.8117   -1.1617 H   0  0  0  0  0
    1.2094    0.4560   -0.6062 H   0  0  0  0  0
    2.6573    0.7545    0.3375 H   0  0  0  0  0
   -0.0539    1.7782    0.8886 H   0  0  0  0  0
    0.7572    2.6106    2.9205 H   0  0  0  0  0
    2.3467    1.9956    2.5665 H   0  0  0  0  0
    0.7990    4.2177    1.1662 H   0  0  0  0  0
    2.2598    4.4351    2.0881 H   0  0  0  0  0
    6.6573    3.1084   -0.8980 H   0  0  0  0  0
    6.4941    4.6569   -0.0362 H   0  0  0  0  0
    6.4528    4.3854   -3.0936 H   0  0  0  0  0
    7.9096    4.6051   -2.1352 H   0  0  0  0  0
    4.6641    6.4577   -1.4557 H   0  0  0  0  0
    6.2706   10.1794   -2.8408 H   0  0  0  0  0
    8.6154    6.5838   -3.1773 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 16  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 49  1  0  0  0
 14 50  1  0  0  0
 15 51  1  0  0  0
 15 52  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 18 54  1  0  0  0
 19 20  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 57  1  0  0  0
 22 23  2  0  0  0
 22 30  1  0  0  0
 23 24  1  0  0  0
 23 58  1  0  0  0
 24 25  2  0  0  0
 24 26  1  0  0  0
 25 59  1  0  0  0
 26 29  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 30 33  1  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL313070

>  <PubChem CID>
44322735

>  <Formula>
C24H26F6N2O

>  <Molecular Weight>
472.475000

>  <IUPAC Name>
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]-N-piperidin-4-ylpropanamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=CC=C1)CN(C2CCNCC2)C(=O)CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=CC(=CC=C1)CN(C2CCNCC2)C(=O)CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H26F6N2O/c1-16-3-2-4-18(11-16)15-32(21-7-9-31-10-8-21)22(33)6-5-17-12-19(23(25,26)27)14-20(13-17)24(28,29)30/h2-4,11-14,21,31H,5-10,15H2,1H3

>  <InChI Key>
AHZXIVAPVSBKAL-UHFFFAOYSA-N

