4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one

C17H21F2N3O2 — CID 56911735

IUPAC4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2cccc(F)c2F)C1CC(=O)N1CCCC1
InChIInChI=1S/C17H21F2N3O2/c18-13-5-3-4-12(16(13)19)11-22-9-6-20-17(24)14(22)10-15(23)21-7-1-2-8-21/h3-5,14H,1-2,6-11H2,(H,20,24)
InChIKeyJPEHBJHNTZHKAS-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.28
Rot. Bonds4

About 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one

4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one (PubChem CID 56911735) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
PubChem CID56911735
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2cccc(F)c2F)C1CC(=O)N1CCCC1
InChIInChI=1S/C17H21F2N3O2/c18-13-5-3-4-12(16(13)19)11-22-9-6-20-17(24)14(22)10-15(23)21-7-1-2-8-21/h3-5,14H,1-2,6-11H2,(H,20,24)
InChIKeyJPEHBJHNTZHKAS-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-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

(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
(3R)-4-[(2,3-difluorophenyl)methyl]-3-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42210083
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
N-cyclobutyl-2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95713622
N-cyclopentyl-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45246216
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
N-(2-amino-2-oxoethyl)-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723179
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide
CID 45243990
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(4-chloro-3-fluorophenyl)methyl]piperazin-2-one
CID 45201011
(3R)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-[(2-chloro-4-fluorophenyl)methyl]piperazin-2-one
CID 25377635

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The IUPAC name of 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one (CID 56911735) is 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The canonical SMILES for 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one is O=C1NCCN(Cc2cccc(F)c2F)C1CC(=O)N1CCCC1.
What is the InChIKey of 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The InChIKey is JPEHBJHNTZHKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c18-13-5-3-4-12(16(13)19)11-22-9-6-20-17(24)14(22)10-15(23)21-7-1-2-8-21/h3-5,14H,1-2,6-11H2,(H,20,24).
What are the key properties of 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one has a molecular weight of 337.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one is sourced from PubChem (CID 56911735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).