(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

C19H28N2O3 — CID 110087251

IUPAC(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H28N2O3/c1-5-21-17(22)11-10-16(19(23)20(3)12-13-24-4)18(21)15-8-6-14(2)7-9-15/h6-9,16,18H,5,10-13H2,1-4H3/t16-,18+/m1/s1
InChIKeyFGENSAXMJICICN-AEFFLSMTSA-N
MW332.44 g/mol
LogP2.40
Rot. Bonds6

About (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 110087251) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID110087251
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H28N2O3/c1-5-21-17(22)11-10-16(19(23)20(3)12-13-24-4)18(21)15-8-6-14(2)7-9-15/h6-9,16,18H,5,10-13H2,1-4H3/t16-,18+/m1/s1
InChIKeyFGENSAXMJICICN-AEFFLSMTSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087723
(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 110086806
(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087370
N-cyclopropyl-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 171143816
(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 110087249
(2R,3R)-1-ethyl-N-(2-hydroxyethyl)-2-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 175658073
(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087157
(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7188451
(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 110090490
(5R,6R)-1-ethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)-6-(4-methylphenyl)piperidin-2-one
CID 110087385
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 138012860
(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 127244533

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 110087251) is (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is FGENSAXMJICICN-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-21-17(22)11-10-16(19(23)20(3)12-13-24-4)18(21)15-8-6-14(2)7-9-15/h6-9,16,18H,5,10-13H2,1-4H3/t16-,18+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.40, 6 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-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).