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

C16H22N2O2 — CID 95738423

IUPAC(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1
InChIInChI=1S/C16H22N2O2/c1-4-17-16(20)13-9-10-14(19)18(3)15(13)12-7-5-11(2)6-8-12/h5-8,13,15H,4,9-10H2,1-3H3,(H,17,20)/t13-,15+/m1/s1
InChIKeyJMZFVHDWQXOFRT-HIFRSBDPSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds3

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

(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 95738423) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID95738423
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1
InChIInChI=1S/C16H22N2O2/c1-4-17-16(20)13-9-10-14(19)18(3)15(13)12-7-5-11(2)6-8-12/h5-8,13,15H,4,9-10H2,1-3H3,(H,17,20)/t13-,15+/m1/s1
InChIKeyJMZFVHDWQXOFRT-HIFRSBDPSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate
CID 95738407
N-cyclohexyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 56730975
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 95738404
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110279185
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 120653334
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 95738423) is (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is CCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is JMZFVHDWQXOFRT-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-17-16(20)13-9-10-14(19)18(3)15(13)12-7-5-11(2)6-8-12/h5-8,13,15H,4,9-10H2,1-3H3,(H,17,20)/t13-,15+/m1/s1.
What are the key properties of (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95738423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).