1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one

C16H23N3O — CID 103981052

IUPAC1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NC2CCCNCC2)cc1
InChIInChI=1S/C16H23N3O/c20-16-4-2-12-19(16)15-7-5-14(6-8-15)18-13-3-1-10-17-11-9-13/h5-8,13,17-18H,1-4,9-12H2
InChIKeyGTNFCOYDEALQTM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds3

About 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one

1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one (PubChem CID 103981052) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one
PubChem CID103981052
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NC2CCCNCC2)cc1
InChIInChI=1S/C16H23N3O/c20-16-4-2-12-19(16)15-7-5-14(6-8-15)18-13-3-1-10-17-11-9-13/h5-8,13,17-18H,1-4,9-12H2
InChIKeyGTNFCOYDEALQTM-UHFFFAOYSA-N
XLogP2.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-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

1-[4-(oxepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 65081475
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 61015948
N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 3410520
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 43780088
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
1-[4-(1,4-diazepan-1-yl)phenyl]piperidin-2-one
CID 125487296

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one (CID 103981052) is 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(NC2CCCNCC2)cc1.
What is the InChIKey of 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one?
The InChIKey is GTNFCOYDEALQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16-4-2-12-19(16)15-7-5-14(6-8-15)18-13-3-1-10-17-11-9-13/h5-8,13,17-18H,1-4,9-12H2.
What are the key properties of 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one?
1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 103981052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).