4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

C17H32N4O2 — CID 128873641

IUPAC4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESCC1CCNCCC1NC1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C17H32N4O2/c1-14-2-4-18-5-3-16(14)19-15-12-17(22)21(13-15)7-6-20-8-10-23-11-9-20/h14-16,18-19H,2-13H2,1H3
InChIKeyAABUMKWWLFLUHI-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.10
Rot. Bonds5

About 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (PubChem CID 128873641) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
PubChem CID128873641
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESCC1CCNCCC1NC1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C17H32N4O2/c1-14-2-4-18-5-3-16(14)19-15-12-17(22)21(13-15)7-6-20-8-10-23-11-9-20/h14-16,18-19H,2-13H2,1H3
InChIKeyAABUMKWWLFLUHI-UHFFFAOYSA-N
XLogP-0.10
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (CID 128873641) is 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is CC1CCNCCC1NC1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The InChIKey is AABUMKWWLFLUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-14-2-4-18-5-3-16(14)19-15-12-17(22)21(13-15)7-6-20-8-10-23-11-9-20/h14-16,18-19H,2-13H2,1H3.
What are the key properties of 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one has a molecular weight of 324.47 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 128873641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).