1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-phenyl-butan-1-one

HCID 19968356
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Basic information

Standard SMILES
COc1ccccc1N1CCN(CCC(C(=O)N2C3CCCC2CC3)c2ccccc2)CC1
InChIKey
AAZHUVBXKPPWOA-UHFFFAOYSA-N
Molecular formula
C28H37N3O2
Average molar mass
447.6 g/mol
Monoisotopic mass
447.28857743

Names & identifiers

Preferred name
1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-phenyl-butan-1-one
IUPAC
1-(8-azabicyclo[3.2.1]octan-8-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one

Names & synonyms

SCHEMBL7452105AAZHUVBXKPPWOA-UHFFFAOYSA-NL0148861-(8-Aza-bicyclo[3.2.1]oct-8-yl)-4-[4-(2-methoxy-phenyl)- piperazin-1-yl]-2-phenyl-butan-1-one

Database identifiers

PubChem CID
19968356

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
36 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

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