(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H28ClN3O2 — CID 110087483

IUPAC(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCC2CCN(C)CC2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H28ClN3O2/c1-3-24-18(25)12-16(19(24)15-6-4-5-7-17(15)21)20(26)22-13-14-8-10-23(2)11-9-14/h4-7,14,16,19H,3,8-13H2,1-2H3,(H,22,26)/t16-,19+/m1/s1
InChIKeyVBXJSHXYXLHHKA-APWZRJJASA-N
MW377.92 g/mol
LogP2.71
Rot. Bonds5

About (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 110087483) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID110087483
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCC2CCN(C)CC2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H28ClN3O2/c1-3-24-18(25)12-16(19(24)15-6-4-5-7-17(15)21)20(26)22-13-14-8-10-23(2)11-9-14/h4-7,14,16,19H,3,8-13H2,1-2H3,(H,22,26)/t16-,19+/m1/s1
InChIKeyVBXJSHXYXLHHKA-APWZRJJASA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-benzyl-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxamide
CID 110086831
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110086955
(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 110087342
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide;formic acid
CID 171688373
(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 51982847
(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110087546
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
CID 110087313
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 110087575
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 110087321
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 110087483) is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)NCC2CCN(C)CC2)[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VBXJSHXYXLHHKA-APWZRJJASA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-3-24-18(25)12-16(19(24)15-6-4-5-7-17(15)21)20(26)22-13-14-8-10-23(2)11-9-14/h4-7,14,16,19H,3,8-13H2,1-2H3,(H,22,26)/t16-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110087483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).