(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C23H26ClN3O2 — CID 39315004

IUPAC(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C23H26ClN3O2/c24-19-7-4-8-21(14-19)27-16-18(13-22(27)28)23(29)25-20-9-11-26(12-10-20)15-17-5-2-1-3-6-17/h1-8,14,18,20H,9-13,15-16H2,(H,25,29)/t18-/m1/s1
InChIKeyZQIMOHWIJKBCEN-GOSISDBHSA-N
MW411.93 g/mol
LogP3.47
Rot. Bonds5

About (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 39315004) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID39315004
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C23H26ClN3O2/c24-19-7-4-8-21(14-19)27-16-18(13-22(27)28)23(29)25-20-9-11-26(12-10-20)15-17-5-2-1-3-6-17/h1-8,14,18,20H,9-13,15-16H2,(H,25,29)/t18-/m1/s1
InChIKeyZQIMOHWIJKBCEN-GOSISDBHSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-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

(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 46589177
1-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 42953107
N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321736
(3R)-1-(3-ethylphenyl)-N-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 30787471
N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010
ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 55575078
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55360345
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 39315004) is (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZQIMOHWIJKBCEN-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-19-7-4-8-21(14-19)27-16-18(13-22(27)28)23(29)25-20-9-11-26(12-10-20)15-17-5-2-1-3-6-17/h1-8,14,18,20H,9-13,15-16H2,(H,25,29)/t18-/m1/s1.
What are the key properties of (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39315004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).