
 CHEMBL298920

 45 46  0  0  0  0  0  0  0  0999 V2000
    7.5545   -5.7088   -1.6134 C   0  0  0  0  0
    6.7634   -4.4670   -1.9788 C   0  0  0  0  0
    6.6920   -3.6067   -0.8357 O   0  0  0  0  0
    7.2439   -2.3621   -1.0251 C   0  0  0  0  0
    8.5149   -2.1782   -1.5766 C   0  0  0  0  0
    9.0180   -0.8889   -1.7546 C   0  0  0  0  0
    8.2670    0.2139   -1.3540 C   0  0  0  0  0
    7.0057    0.0333   -0.7837 C   0  0  0  0  0
    6.4834   -1.2528   -0.6195 C   0  0  0  0  0
    5.2081   -1.4922   -0.0755 N   0  0  0  0  0
    4.1519   -0.6317   -0.0815 C   0  0  0  0  0
    4.1333    0.5051   -0.5336 O   0  0  0  0  0
    3.0558   -1.2692    0.4114 O   0  0  0  0  0
    1.8035   -0.6158    0.1287 C   0  0  0  0  0
    1.5584    0.6117    1.0250 C   0  0  0  0  0
    0.3197    1.3514    0.7062 N   0  0  0  0  0
    0.0344    2.3792    1.7238 C   0  0  0  0  0
    0.9750    3.5887    1.6797 C   0  0  0  0  0
    1.0330    4.2056    0.2857 C   0  0  0  0  0
    1.2997    3.1440   -0.7751 C   0  0  0  0  0
    0.3288    1.9700   -0.6320 C   0  0  0  0  0
    7.6632   -6.3698   -2.4778 H   0  0  0  0  0
    7.0498   -6.2604   -0.8129 H   0  0  0  0  0
    8.5491   -5.4449   -1.2398 H   0  0  0  0  0
    5.7368   -4.7539   -2.2331 H   0  0  0  0  0
    7.1835   -3.9840   -2.8693 H   0  0  0  0  0
    9.1222   -3.0269   -1.8755 H   0  0  0  0  0
    9.9989   -0.7437   -2.1989 H   0  0  0  0  0
    8.6618    1.2188   -1.4793 H   0  0  0  0  0
    6.4551    0.9119   -0.4588 H   0  0  0  0  0
    4.9764   -2.4579    0.1198 H   0  0  0  0  0
    1.0138   -1.3570    0.2983 H   0  0  0  0  0
    1.7812   -0.3755   -0.9388 H   0  0  0  0  0
    2.4308    1.2713    1.0235 H   0  0  0  0  0
    1.4942    0.2346    2.0548 H   0  0  0  0  0
    0.0503    1.9346    2.7262 H   0  0  0  0  0
   -0.9966    2.7283    1.5781 H   0  0  0  0  0
    0.6337    4.3437    2.3972 H   0  0  0  0  0
    1.9835    3.2944    1.9926 H   0  0  0  0  0
    0.0780    4.6999    0.0691 H   0  0  0  0  0
    1.8084    4.9786    0.2476 H   0  0  0  0  0
    1.1936    3.5884   -1.7715 H   0  0  0  0  0
    2.3356    2.7943   -0.6985 H   0  0  0  0  0
   -0.6872    2.3280   -0.8466 H   0  0  0  0  0
    0.5261    1.2297   -1.4131 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL298920

>  <PubChem CID>
41585

>  <Formula>
C16H24N2O3

>  <Molecular Weight>
292.379000

>  <IUPAC Name>
2-piperidin-1-ylethyl N-(2-ethoxyphenyl)carbamate

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=CC=CC=C1NC(=O)OCCN2CCCCC2

>  <Isomeric SMILES>
CCOC1=CC=CC=C1NC(=O)OCCN2CCCCC2

>  <InChI Std. ID>
InChI=1S/C16H24N2O3/c1-2-20-15-9-5-4-8-14(15)17-16(19)21-13-12-18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,17,19)

>  <InChI Key>
AKAUVJAKQZMDKP-UHFFFAOYSA-N

