2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one

C20H21NO — CID 19967089

IUPAC2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
SMILESO=C1C2CCN(CC2)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H21NO/c22-20-17-9-11-21(12-10-17)19(20)14-15-5-4-8-18(13-15)16-6-2-1-3-7-16/h1-8,13,17,19H,9-12,14H2
InChIKeyGKNRNAHTVOKOEC-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.56
Rot. Bonds3

About 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one

2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 19967089) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
PubChem CID19967089
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
SMILESO=C1C2CCN(CC2)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H21NO/c22-20-17-9-11-21(12-10-17)19(20)14-15-5-4-8-18(13-15)16-6-2-1-3-7-16/h1-8,13,17,19H,9-12,14H2
InChIKeyGKNRNAHTVOKOEC-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-[4-(Trifluoromethyl)phenyl]-1-azaspiro[bicyclo[2.2.2]octane-2,1'-cyclopropan]-3-one
CID 2738783
3-Quinuclidinone, 2-(1-naphthylmethylene)-
CID 695479
Quinuclium Bromide Anhydrous
CID 47458
2-Benzyl-1-azabicyclo[2.2.2]octan-3-one
CID 280751
2-Benzhydryl-3-quinuclidinone
CID 425110
[3-[1-(2,6-Dimethylpiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
CID 13409102
4-Benzhydryl-1-benzylpiperidin-3-one;hydrochloride
CID 23025462
3-Benzhydryl-1-(2-phenylethyl)piperidin-4-one
CID 56657908
2-Butanone, 4,4-diphenyl-1-piperidino-
CID 13785
2-(3-Phenylpropyl)-1-azabicyclo[2.2.2]octan-3-one;hydrochloride
CID 13971550
2-(4-Phenyl-piperidin-1-yl)-cyclohexanone
CID 15925759
AF 14
CID 194105

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one (CID 19967089) is 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one is O=C1C2CCN(CC2)C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is GKNRNAHTVOKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-20-17-9-11-21(12-10-17)19(20)14-15-5-4-8-18(13-15)16-6-2-1-3-7-16/h1-8,13,17,19H,9-12,14H2.
What are the key properties of 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one?
2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 291.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 19967089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).