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

C21H31N3O2 — CID 110087546

IUPAC(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1C
InChIInChI=1S/C21H31N3O2/c1-5-24-19(25)14-18(20(24)17-9-7-6-8-15(17)2)21(26)23(4)16-10-12-22(3)13-11-16/h6-9,16,18,20H,5,10-14H2,1-4H3/t18-,20+/m1/s1
InChIKeyWSPLKKPVJRFGCL-QUCCMNQESA-N
MW357.50 g/mol
LogP2.46
Rot. Bonds4

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

(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110087546) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110087546
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1C
InChIInChI=1S/C21H31N3O2/c1-5-24-19(25)14-18(20(24)17-9-7-6-8-15(17)2)21(26)23(4)16-10-12-22(3)13-11-16/h6-9,16,18,20H,5,10-14H2,1-4H3/t18-,20+/m1/s1
InChIKeyWSPLKKPVJRFGCL-QUCCMNQESA-N
XLogP2.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 110087414
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086882
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110087483
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-2-one
CID 110086869
(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086978
(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110087437
(2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide
CID 134701506
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
CID 110087313
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(3R,4S)-N-methyl-N-(1-methylpiperidin-4-yl)-1-oxo-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 93020770
(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087157

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 110087546) is (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1C.
What is the InChIKey of (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WSPLKKPVJRFGCL-QUCCMNQESA-N. The full InChI is InChI=1S/C21H31N3O2/c1-5-24-19(25)14-18(20(24)17-9-7-6-8-15(17)2)21(26)23(4)16-10-12-22(3)13-11-16/h6-9,16,18,20H,5,10-14H2,1-4H3/t18-,20+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110087546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).