1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one

C20H22N4O2 — CID 120730632

IUPAC1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C20H22N4O2/c25-19-7-3-10-23(19)17-6-1-4-15(12-17)20(26)24-11-9-22-14-18(24)16-5-2-8-21-13-16/h1-2,4-6,8,12-13,18,22H,3,7,9-11,14H2
InChIKeySEBHODVXOZTMOQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.00
Rot. Bonds3

About 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one

1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 120730632) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID120730632
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C20H22N4O2/c25-19-7-3-10-23(19)17-6-1-4-15(12-17)20(26)24-11-9-22-14-18(24)16-5-2-8-21-13-16/h1-2,4-6,8,12-13,18,22H,3,7,9-11,14H2
InChIKeySEBHODVXOZTMOQ-UHFFFAOYSA-N
XLogP2.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)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-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 120802376
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732299
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425973

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one (CID 120730632) is 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(C(=O)N2CCNCC2c2cccnc2)c1.
What is the InChIKey of 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is SEBHODVXOZTMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19-7-3-10-23(19)17-6-1-4-15(12-17)20(26)24-11-9-22-14-18(24)16-5-2-8-21-13-16/h1-2,4-6,8,12-13,18,22H,3,7,9-11,14H2.
What are the key properties of 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 120730632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).