
 SCHEMBL1990510

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.7327   -0.6999   -1.3081 C   0  0  0  0  0
    0.8111   -0.5856   -0.0983 C   0  0  0  0  0
   -0.1306   -1.7820   -0.0084 C   0  0  0  0  0
    0.6033   -3.0518   -0.0306 N   0  0  0  0  0
    1.5226   -3.2097   -1.1575 C   0  0  0  0  0
    2.4808   -2.0285   -1.2832 C   0  0  0  0  0
    0.0653   -4.2362    0.4995 C   0  0  0  0  0
    0.3142   -5.3350    0.0082 O   0  0  0  0  0
   -0.7022   -4.0332    1.6249 N   0  0  0  0  0
   -1.4706   -4.9797    2.3317 C   0  0  0  0  0
   -1.7449   -6.2645    1.8712 C   0  0  0  0  0
   -2.5140   -7.1478    2.6419 C   0  0  0  0  0
   -3.0530   -6.7595    3.8780 C   0  0  0  0  0
   -2.7681   -5.4648    4.3319 C   0  0  0  0  0
   -1.9950   -4.5846    3.5654 C   0  0  0  0  0
   -3.8337   -7.7413    4.7284 C   0  0  0  0  0
   -4.8084   -7.1420    5.7429 C   0  0  0  0  0
   -5.7004   -8.3199    6.0783 C   0  0  0  0  0
   -5.9341   -8.9530    4.7849 N   0  0  0  0  0
   -4.7292   -8.7399    3.9704 C   0  0  0  0  0
    1.1430   -0.6251   -2.2297 H   0  0  0  0  0
    2.4471    0.1306   -1.3125 H   0  0  0  0  0
    0.2311    0.3419   -0.1580 H   0  0  0  0  0
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   -2.6767   -8.1509    2.2532 H   0  0  0  0  0
   -3.1352   -5.1174    5.2944 H   0  0  0  0  0
   -1.8050   -3.5890    3.9571 H   0  0  0  0  0
   -3.0880   -8.3208    5.2935 H   0  0  0  0  0
   -5.3990   -6.3305    5.2983 H   0  0  0  0  0
   -4.3012   -6.7518    6.6313 H   0  0  0  0  0
   -5.1862   -9.0140    6.7534 H   0  0  0  0  0
   -6.6371   -8.0069    6.5476 H   0  0  0  0  0
   -6.1351   -9.9455    4.8920 H   0  0  0  0  0
   -4.1966   -9.6854    3.8154 H   0  0  0  0  0
   -5.0418   -8.3650    2.9902 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
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 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1990510

>  <PubChem CID>
67239344

>  <Formula>
C16H23N3O

>  <Molecular Weight>
273.380000

>  <IUPAC Name>
N-(4-pyrrolidin-3-ylphenyl)piperidine-1-carboxamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(CC1)C(=O)NC2=CC=C(C=C2)C3CCNC3

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)NC2=CC=C(C=C2)C3CCNC3

>  <InChI Std. ID>
InChI=1S/C16H23N3O/c20-16(19-10-2-1-3-11-19)18-15-6-4-13(5-7-15)14-8-9-17-12-14/h4-7,14,17H,1-3,8-12H2,(H,18,20)

>  <InChI Key>
ASAQMEBUNMNALF-UHFFFAOYSA-N

