(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C24H28ClN3O2 — CID 39354010

IUPAC(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O2/c25-21-8-6-19(7-9-21)16-28-17-20(14-23(28)29)24(30)26-22-10-12-27(13-11-22)15-18-4-2-1-3-5-18/h1-9,20,22H,10-17H2,(H,26,30)/t20-/m0/s1
InChIKeyXUPPVXHPISOFNE-FQEVSTJZSA-N
MW425.96 g/mol
LogP3.47
Rot. Bonds6

About (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 39354010) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID39354010
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O2/c25-21-8-6-19(7-9-21)16-28-17-20(14-23(28)29)24(30)26-22-10-12-27(13-11-22)15-18-4-2-1-3-5-18/h1-9,20,22H,10-17H2,(H,26,30)/t20-/m0/s1
InChIKeyXUPPVXHPISOFNE-FQEVSTJZSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131927694
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55960560
N-(1-benzylpiperidin-4-yl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800210
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552482
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42943202

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 39354010) is (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XUPPVXHPISOFNE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-21-8-6-19(7-9-21)16-28-17-20(14-23(28)29)24(30)26-22-10-12-27(13-11-22)15-18-4-2-1-3-5-18/h1-9,20,22H,10-17H2,(H,26,30)/t20-/m0/s1.
What are the key properties of (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39354010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).