4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one

C17H22N2O2 — CID 2978143

IUPAC4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCCCCC1
InChIInChI=1S/C17H22N2O2/c20-16-12-14(13-19(16)15-8-4-3-5-9-15)17(21)18-10-6-1-2-7-11-18/h3-5,8-9,14H,1-2,6-7,10-13H2
InChIKeyIXYHFCDUVDHPDC-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.44
Rot. Bonds2

About 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one

4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one (PubChem CID 2978143) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
PubChem CID2978143
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCCCCC1
InChIInChI=1S/C17H22N2O2/c20-16-12-14(13-19(16)15-8-4-3-5-9-15)17(21)18-10-6-1-2-7-11-18/h3-5,8-9,14H,1-2,6-7,10-13H2
InChIKeyIXYHFCDUVDHPDC-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-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

Butanamide, N,2-dimethyl-N-phenyl-
CID 163414
1-Phenylpyrrolidin-2-one
CID 78375
N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
1-[4-(2-Oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
3-Acetyl-1-phenyl-pyrrolidine-2,4-dione
CID 15088156
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068
4-(3,5-Dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 6493312
4-(Azepane-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 6497554
1-(2-Fluorophenyl)-4-(morpholin-4-ylcarbonyl)pyrrolidin-2-one
CID 16290595
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651502

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one (CID 2978143) is 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2)C1)N1CCCCCC1.
What is the InChIKey of 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one?
The InChIKey is IXYHFCDUVDHPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-12-14(13-19(16)15-8-4-3-5-9-15)17(21)18-10-6-1-2-7-11-18/h3-5,8-9,14H,1-2,6-7,10-13H2.
What are the key properties of 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one?
4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 2978143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).