1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide

C24H26ClN3O3 — CID 55597795

IUPAC1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2=O)c1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H26ClN3O3/c25-20-10-8-18(9-11-20)24(31)28-13-2-5-19(16-28)23(30)26-21-6-1-4-17(14-21)15-27-12-3-7-22(27)29/h1,4,6,8-11,14,19H,2-3,5,7,12-13,15-16H2,(H,26,30)
InChIKeyCZZXDXQUPWZABP-UHFFFAOYSA-N
MW439.94 g/mol
LogP3.95
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide (PubChem CID 55597795) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
PubChem CID55597795
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2=O)c1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H26ClN3O3/c25-20-10-8-18(9-11-20)24(31)28-13-2-5-19(16-28)23(30)26-21-6-1-4-17(14-21)15-27-12-3-7-22(27)29/h1,4,6,8-11,14,19H,2-3,5,7,12-13,15-16H2,(H,26,30)
InChIKeyCZZXDXQUPWZABP-UHFFFAOYSA-N
XLogP3.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide 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-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(3R)-1-(4-chlorobenzoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 51960621
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42906722
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 41076935
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3S)-1-(4-chlorobenzoyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-3-carboxamide
CID 40988245
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide (CID 55597795) is 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(CN2CCCC2=O)c1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is CZZXDXQUPWZABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c25-20-10-8-18(9-11-20)24(31)28-13-2-5-19(16-28)23(30)26-21-6-1-4-17(14-21)15-27-12-3-7-22(27)29/h1,4,6,8-11,14,19H,2-3,5,7,12-13,15-16H2,(H,26,30).
What are the key properties of 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55597795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).