9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one

C16H19NO3 — CID 134795364

IUPAC9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCOc1ccc(C(=O)N2C3CCCC2CC(=O)C3)cc1
InChIInChI=1S/C16H19NO3/c1-20-15-7-5-11(6-8-15)16(19)17-12-3-2-4-13(17)10-14(18)9-12/h5-8,12-13H,2-4,9-10H2,1H3
InChIKeyOXERTPSDYQYJNL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.42
Rot. Bonds2

About 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 134795364) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID134795364
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCOc1ccc(C(=O)N2C3CCCC2CC(=O)C3)cc1
InChIInChI=1S/C16H19NO3/c1-20-15-7-5-11(6-8-15)16(19)17-12-3-2-4-13(17)10-14(18)9-12/h5-8,12-13H,2-4,9-10H2,1H3
InChIKeyOXERTPSDYQYJNL-UHFFFAOYSA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-methylbenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 134791897
9-[2-(4-methoxyphenyl)acetyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 134792842
(4-methoxyphenyl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615848
[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 175967606
(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 98116144
4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
CID 126657946
(3aS,7aR)-2-(4-methoxybenzoyl)-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 15855714
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone
CID 145118312
5-hydroxy-1-(4-methoxybenzoyl)-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one
CID 18314111

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 134795364) is 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one is COc1ccc(C(=O)N2C3CCCC2CC(=O)C3)cc1.
What is the InChIKey of 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is OXERTPSDYQYJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-15-7-5-11(6-8-15)16(19)17-12-3-2-4-13(17)10-14(18)9-12/h5-8,12-13H,2-4,9-10H2,1H3.
What are the key properties of 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 273.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 134795364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).