2890
  -OEChem-04242422162D

 35 37  0     0  0  0  0  0  0999 V2000
    8.0901   -0.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2052   -0.6218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070    0.0679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070    0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2052    1.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 10  2  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2890

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAA8SIAAAAAAAACRAAAAHgAAAAAADAThmAYwBoMABACIAiFSEACCCAAkIAAIiAEOjMgNJjKEtRuGOSrkxhGKqYe63BLOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-dihydro-1,4-benzodioxin-6-yl(1-piperidyl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
2,3-dihydro-1,4-benzodioxin-6-yl(1-piperidinyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone

> <PUBCHEM_IUPAC_NAME>
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3-dihydro-1,4-benzodioxin-6-yl(piperidino)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2

> <PUBCHEM_IUPAC_INCHIKEY>
LJUNPHMOGNFFOS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.1

> <PUBCHEM_EXACT_MASS>
247.12084340

> <PUBCHEM_MOLECULAR_FORMULA>
C14H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
247.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

> <PUBCHEM_CACTVS_TPSA>
38.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.12084340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  14  8
12  13  8
13  15  8
14  16  8
15  16  8

$$$$