
 CHEMBL143426

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.2475   -0.4621   -0.3586 C   0  0  0  0  0
    1.3158    0.3545    0.3497 C   0  0  0  0  0
    1.3138    1.8083   -0.1276 C   0  0  0  0  0
    2.4428    2.6024    0.5414 C   0  0  0  0  0
    2.5259    4.0236    0.1390 N   0  0  0  0  0
    2.6871    4.1646   -1.3168 C   0  0  0  0  0
    3.0006    5.5934   -1.7680 C   0  0  0  0  0
    4.2047    6.1720   -1.0273 C   0  0  0  0  0
    3.9102    6.0960    0.4745 C   0  0  0  0  0
    3.6046    4.6645    0.9152 C   0  0  0  0  0
    5.5010    5.4427   -1.4133 C   0  0  0  0  0
    6.6068    5.9968   -0.6898 O   0  0  0  0  0
    7.3726    6.8962   -1.3695 C   0  0  0  0  0
    7.1535    7.2595   -2.5212 O   0  0  0  0  0
    8.5036    7.3606   -0.5808 C   0  0  0  0  0
    8.6631    7.2238    0.7892 C   0  0  0  0  0
    9.8559    7.7929    1.1446 N   0  0  0  0  0
   10.4984    8.2822    0.0317 C   0  0  0  0  0
   11.7392    8.9188   -0.0871 C   0  0  0  0  0
   12.1516    9.3015   -1.3674 C   0  0  0  0  0
   11.3521    9.0623   -2.4817 C   0  0  0  0  0
   10.1120    8.4324   -2.3434 C   0  0  0  0  0
    9.6720    8.0317   -1.0643 C   0  0  0  0  0
    0.2681   -1.4985   -0.0081 H   0  0  0  0  0
    0.4128   -0.4672   -1.4410 H   0  0  0  0  0
   -0.7496   -0.0547   -0.1650 H   0  0  0  0  0
    2.2957   -0.0982    0.1559 H   0  0  0  0  0
    1.1483    0.3150    1.4320 H   0  0  0  0  0
    0.3473    2.2749    0.0971 H   0  0  0  0  0
    1.4352    1.8086   -1.2163 H   0  0  0  0  0
    3.3986    2.1011    0.3350 H   0  0  0  0  0
    2.2877    2.5557    1.6273 H   0  0  0  0  0
    1.7529    3.8803   -1.8144 H   0  0  0  0  0
    3.4653    3.4868   -1.6884 H   0  0  0  0  0
    3.1768    5.6071   -2.8502 H   0  0  0  0  0
    2.1244    6.2298   -1.5865 H   0  0  0  0  0
    4.3177    7.2304   -1.2945 H   0  0  0  0  0
    4.7527    6.4891    1.0553 H   0  0  0  0  0
    3.0498    6.7374    0.7067 H   0  0  0  0  0
    4.5261    4.0708    0.8649 H   0  0  0  0  0
    3.3120    4.6943    1.9724 H   0  0  0  0  0
    5.6597    5.4774   -2.4980 H   0  0  0  0  0
    5.4695    4.3802   -1.1544 H   0  0  0  0  0
    8.0217    6.7752    1.5364 H   0  0  0  0  0
   10.2238    7.8405    2.0850 H   0  0  0  0  0
   12.3674    9.1068    0.7774 H   0  0  0  0  0
   13.1135    9.7930   -1.4942 H   0  0  0  0  0
   11.6918    9.3635   -3.4694 H   0  0  0  0  0
    9.4960    8.2479   -3.2201 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 23  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL143426

>  <PubChem CID>
10852772

>  <Formula>
C19H26N2O2

>  <Molecular Weight>
314.429000

>  <IUPAC Name>
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate

>  <XlogP>
4.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCN1CCC(CC1)COC(=O)C2=CNC3=CC=CC=C32

>  <Isomeric SMILES>
CCCCN1CCC(CC1)COC(=O)C2=CNC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3

>  <InChI Key>
DEWPDCSLWTYBEZ-UHFFFAOYSA-N

