6-[3-[1-(2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

HCID 21888069
NotesReactions
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Basic information

Standard SMILES
O=C(CCC1CCN(C2CCc3ccccc32)CC1)c1cc2c3c(c1)CCN3C(=O)CC2
InChIKey
HFVZYWRUNFUABN-UHFFFAOYSA-N
Molecular formula
C28H32N2O2
Average molar mass
428.6 g/mol
Monoisotopic mass
428.24637827

Names & identifiers

Preferred name
6-[3-[1-(2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
IUPAC
6-[3-[1-(2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

Names & synonyms

SCHEMBL13987677

Database identifiers

PubChem CID
21888069

Properties

Computed structural properties

XLogP
4
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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