4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C20H28N4O2 — CID 126891892

IUPAC4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCCN1CCN(C2CN(C(=O)C3CC(=O)N(c4ccccc4)C3)C2)CC1
InChIInChI=1S/C20H28N4O2/c1-2-21-8-10-22(11-9-21)18-14-23(15-18)20(26)16-12-19(25)24(13-16)17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3
InChIKeyROIOBJRRWSUGID-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.89
Rot. Bonds4

About 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 126891892) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID126891892
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCCN1CCN(C2CN(C(=O)C3CC(=O)N(c4ccccc4)C3)C2)CC1
InChIInChI=1S/C20H28N4O2/c1-2-21-8-10-22(11-9-21)18-14-23(15-18)20(26)16-12-19(25)24(13-16)17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3
InChIKeyROIOBJRRWSUGID-UHFFFAOYSA-N
XLogP0.89
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-ethylpiperazin-1-yl)azetidine-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

(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
4-(4-ethylpiperazine-1-carbonyl)-1-pyridin-3-ylpyrrolidin-2-one
CID 110684478
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 17120155
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9351131
4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080756
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190760

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 126891892) is 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is CCN1CCN(C2CN(C(=O)C3CC(=O)N(c4ccccc4)C3)C2)CC1.
What is the InChIKey of 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is ROIOBJRRWSUGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-21-8-10-22(11-9-21)18-14-23(15-18)20(26)16-12-19(25)24(13-16)17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3.
What are the key properties of 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 126891892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).