
 CHEMBL1258754

 49 52  0  0  0  0  0  0  0  0999 V2000
    2.2820   -2.3967   -0.7938 C   0  0  0  0  0
    1.9260   -1.2307    0.1396 C   0  0  0  0  0
    2.7577   -1.3207    1.4247 C   0  0  0  0  0
    1.9819    0.0668   -0.5665 N   0  0  0  0  0
    3.3091    0.4355   -1.0763 C   0  0  0  0  0
    3.2062    1.6660   -1.9800 C   0  0  0  0  0
    2.5559    2.8552   -1.2692 C   0  0  0  0  0
    1.2461    2.4221   -0.6075 C   0  0  0  0  0
    1.4281    1.1637    0.2423 C   0  0  0  0  0
    3.4816    3.3331   -0.2824 O   0  0  0  0  0
    3.4920    4.6673    0.0257 C   0  0  0  0  0
    4.5670    5.0631    0.8333 C   0  0  0  0  0
    4.6987    6.4099    1.2275 C   0  0  0  0  0
    3.7383    7.3314    0.8042 C   0  0  0  0  0
    2.6540    6.9557    0.0009 C   0  0  0  0  0
    2.5462    5.6093   -0.3739 C   0  0  0  0  0
    4.1091    8.5470    1.3235 N   0  0  0  0  0
    3.4473    9.8273    1.1319 C   0  0  0  0  0
    3.7547   10.7465    2.3117 C   0  0  0  0  0
    5.1641   10.7418    2.6612 N   0  0  0  0  0
    5.8859    9.5683    2.7268 C   0  0  0  0  0
    6.9649    9.5359    3.3095 O   0  0  0  0  0
    5.2654    8.4441    2.0653 C   0  0  0  0  0
    5.6511    7.1191    2.0127 C   0  0  0  0  0
    1.7386   -2.3244   -1.7422 H   0  0  0  0  0
    2.0060   -3.3510   -0.3312 H   0  0  0  0  0
    3.3542   -2.4396   -1.0112 H   0  0  0  0  0
    0.8767   -1.3946    0.4208 H   0  0  0  0  0
    3.8235   -1.1600    1.2360 H   0  0  0  0  0
    2.6500   -2.3128    1.8781 H   0  0  0  0  0
    2.4253   -0.5925    2.1709 H   0  0  0  0  0
    3.7314   -0.3698   -1.6859 H   0  0  0  0  0
    4.0143    0.6281   -0.2589 H   0  0  0  0  0
    4.2124    1.9390   -2.3200 H   0  0  0  0  0
    2.6175    1.4108   -2.8708 H   0  0  0  0  0
    2.3738    3.6177   -2.0352 H   0  0  0  0  0
    0.8545    3.2183    0.0353 H   0  0  0  0  0
    0.4937    2.2298   -1.3826 H   0  0  0  0  0
    2.0700    1.3905    1.1026 H   0  0  0  0  0
    0.4447    0.8805    0.6369 H   0  0  0  0  0
    5.3036    4.3304    1.1507 H   0  0  0  0  0
    1.9103    7.6748   -0.3259 H   0  0  0  0  0
    1.6899    5.3337   -0.9804 H   0  0  0  0  0
    3.8403   10.2409    0.1964 H   0  0  0  0  0
    2.3697    9.6662    1.0366 H   0  0  0  0  0
    3.4605   11.7772    2.0905 H   0  0  0  0  0
    3.2059   10.4172    3.2022 H   0  0  0  0  0
    5.5508   11.4856    3.2291 H   0  0  0  0  0
    6.5302    6.7078    2.4929 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  4  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
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 13 14  2  0  0  0
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 17 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1258754

>  <PubChem CID>
16679518

>  <Formula>
C19H25N3O2

>  <Molecular Weight>
327.428000

>  <IUPAC Name>
8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1CCC(CC1)OC2=CC3=C(C=C2)N4CCNC(=O)C4=C3

>  <Isomeric SMILES>
CC(C)N1CCC(CC1)OC2=CC3=C(C=C2)N4CCNC(=O)C4=C3

>  <InChI Std. ID>
InChI=1S/C19H25N3O2/c1-13(2)21-8-5-15(6-9-21)24-16-3-4-17-14(11-16)12-18-19(23)20-7-10-22(17)18/h3-4,11-13,15H,5-10H2,1-2H3,(H,20,23)

>  <InChI Key>
AJUFRGDVXUPOOW-UHFFFAOYSA-N

