
 CHEMBL129647

 45 48  0  0  0  0  0  0  0  0999 V2000
    5.2000   -0.6473   -3.5266 C   0  0  0  0  0
    6.3476   -0.1380   -2.8595 O   0  0  0  0  0
    6.2960    1.1667   -2.4519 C   0  0  0  0  0
    7.4846    1.6520   -1.8968 C   0  0  0  0  0
    7.5788    2.9759   -1.4606 C   0  0  0  0  0
    6.4856    3.8334   -1.6132 C   0  0  0  0  0
    5.2792    3.3395   -2.1190 C   0  0  0  0  0
    5.1855    2.0090   -2.5412 C   0  0  0  0  0
    6.5521    5.2570   -1.2019 C   0  0  0  0  0
    5.6317    5.6871   -0.5104 O   0  0  0  0  0
    7.6362    6.0433   -1.6122 N   0  0  0  0  0
    7.6392    7.4444   -1.1935 C   0  0  0  0  0
    9.0526    7.9897   -1.0079 C   0  0  0  0  0
    9.9997    7.6675   -2.1767 C   0  0  0  0  0
    9.8795    6.1955   -2.6110 C   0  0  0  0  0
    8.4342    5.7569   -2.8046 C   0  0  0  0  0
   11.4474    7.9343   -1.7486 C   0  0  0  0  0
   12.0791    8.8246   -2.5256 C   0  0  0  0  0
   11.1408    9.2633   -3.5393 C   0  0  0  0  0
   11.3505   10.1614   -4.5728 C   0  0  0  0  0
   10.2885   10.4372   -5.4336 C   0  0  0  0  0
    9.0408    9.8257   -5.2413 C   0  0  0  0  0
    8.8389    8.9215   -4.1935 C   0  0  0  0  0
    9.9007    8.6314   -3.3481 C   0  0  0  0  0
    5.4320   -1.6629   -3.8637 H   0  0  0  0  0
    4.9556   -0.0528   -4.4134 H   0  0  0  0  0
    4.3465   -0.7080   -2.8435 H   0  0  0  0  0
    8.3440    0.9927   -1.8073 H   0  0  0  0  0
    8.5048    3.3339   -1.0190 H   0  0  0  0  0
    4.4113    3.9924   -2.1883 H   0  0  0  0  0
    4.2341    1.6641   -2.9304 H   0  0  0  0  0
    7.0933    7.5566   -0.2498 H   0  0  0  0  0
    7.0853    8.0171   -1.9449 H   0  0  0  0  0
    9.0023    9.0703   -0.8234 H   0  0  0  0  0
    9.4554    7.5386   -0.0903 H   0  0  0  0  0
   10.3231    5.5529   -1.8377 H   0  0  0  0  0
   10.4414    6.0055   -3.5345 H   0  0  0  0  0
    7.9624    6.2735   -3.6456 H   0  0  0  0  0
    8.4157    4.7010   -3.0720 H   0  0  0  0  0
   11.9074    7.4417   -0.9021 H   0  0  0  0  0
   13.0946    9.1736   -2.4318 H   0  0  0  0  0
   12.3147   10.6363   -4.7157 H   0  0  0  0  0
   10.4264   11.1326   -6.2573 H   0  0  0  0  0
    8.2210   10.0564   -5.9194 H   0  0  0  0  0
    7.8637    8.4666   -4.0705 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
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  3  8  1  0  0  0
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  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
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  7 30  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL129647

>  <PubChem CID>
10448639

>  <Formula>
C21H21NO2

>  <Molecular Weight>
319.404000

>  <IUPAC Name>
(4-methoxyphenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC=C(C=C1)C(=O)N2CCC3(CC2)C=CC4=CC=CC=C34

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C(=O)N2CCC3(CC2)C=CC4=CC=CC=C34

>  <InChI Std. ID>
InChI=1S/C21H21NO2/c1-24-18-8-6-17(7-9-18)20(23)22-14-12-21(13-15-22)11-10-16-4-2-3-5-19(16)21/h2-11H,12-15H2,1H3

>  <InChI Key>
CVILDSCBKGDBGS-UHFFFAOYSA-N

