N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide

C13H16N2O3 — CID 79040523

IUPACN-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cc(O)ccc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H16N2O3/c1-8-6-10(16)3-4-11(8)15-13(18)9-2-5-12(17)14-7-9/h3-4,6,9,16H,2,5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyKAFJOWWIFSCSDD-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.17
Rot. Bonds2

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

N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 79040523) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID79040523
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cc(O)ccc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H16N2O3/c1-8-6-10(16)3-4-11(8)15-13(18)9-2-5-12(17)14-7-9/h3-4,6,9,16H,2,5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyKAFJOWWIFSCSDD-UHFFFAOYSA-N
XLogP1.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729169
N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
CID 76873147
N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
CID 76891188
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982066
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide
CID 78978988
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 104938577
3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 83192490

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 79040523) is N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide is Cc1cc(O)ccc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KAFJOWWIFSCSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-6-10(16)3-4-11(8)15-13(18)9-2-5-12(17)14-7-9/h3-4,6,9,16H,2,5,7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide?
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 79040523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).