(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide

C15H18N2O3 — CID 125136193

IUPAC(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H]2CCCC(=O)N2)cc1C
InChIInChI=1S/C15H18N2O3/c1-9-8-11(6-7-12(9)10(2)18)16-15(20)13-4-3-5-14(19)17-13/h6-8,13H,3-5H2,1-2H3,(H,16,20)(H,17,19)/t13-/m0/s1
InChIKeyVDNCTBZFGFNSEQ-ZDUSSCGKSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds3

About (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide

(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide (PubChem CID 125136193) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
PubChem CID125136193
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H]2CCCC(=O)N2)cc1C
InChIInChI=1S/C15H18N2O3/c1-9-8-11(6-7-12(9)10(2)18)16-15(20)13-4-3-5-14(19)17-13/h6-8,13H,3-5H2,1-2H3,(H,16,20)(H,17,19)/t13-/m0/s1
InChIKeyVDNCTBZFGFNSEQ-ZDUSSCGKSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide
CID 146125547
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
ethyl 2-hydroxy-5-[[(2R)-7-oxoazepane-2-carbonyl]amino]benzoate
CID 125143991
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63020187
(2R)-6-oxo-N-(4-phenoxyphenyl)piperidine-2-carboxamide
CID 146122694
(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide
CID 146122047
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119321690
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
CID 20716281
(2R)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-6-oxopiperidine-2-carboxamide
CID 146122029

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide (CID 125136193) is (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide is CC(=O)c1ccc(NC(=O)[C@@H]2CCCC(=O)N2)cc1C.
What is the InChIKey of (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide?
The InChIKey is VDNCTBZFGFNSEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-8-11(6-7-12(9)10(2)18)16-15(20)13-4-3-5-14(19)17-13/h6-8,13H,3-5H2,1-2H3,(H,16,20)(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide?
(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 125136193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).