(3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide

C14H16N2O3 — CID 7046052

IUPAC(3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-9(17)10-4-6-11(7-5-10)16-14(19)12-3-2-8-15-13(12)18/h4-7,12H,2-3,8H2,1H3,(H,15,18)(H,16,19)/t12-/m0/s1
InChIKeyWCXYBXRQVGFBSM-LBPRGKRZSA-N
MW260.29 g/mol
LogP1.35
Rot. Bonds3

About (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide

(3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide (PubChem CID 7046052) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide
PubChem CID7046052
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-9(17)10-4-6-11(7-5-10)16-14(19)12-3-2-8-15-13(12)18/h4-7,12H,2-3,8H2,1H3,(H,15,18)(H,16,19)/t12-/m0/s1
InChIKeyWCXYBXRQVGFBSM-LBPRGKRZSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 3137671
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
CID 142869347
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
(3S)-1-N-(4-acetylphenyl)-4-methylsulfonyl-3-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 163173679
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 556295
(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5392550
(1R,4Z,8R)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5392551
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338901

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide (CID 7046052) is (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CCCNC2=O)cc1.
What is the InChIKey of (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is WCXYBXRQVGFBSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)10-4-6-11(7-5-10)16-14(19)12-3-2-8-15-13(12)18/h4-7,12H,2-3,8H2,1H3,(H,15,18)(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide?
(3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 7046052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).