(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide

C14H20N2O2 — CID 81124714

IUPAC(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCNC2)c(C)c1O
InChIInChI=1S/C14H20N2O2/c1-9-5-6-12(10(2)13(9)17)16-14(18)11-4-3-7-15-8-11/h5-6,11,15,17H,3-4,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNURFWGXQGCDYCS-NSHDSACASA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds2

About (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide

(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 81124714) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
PubChem CID81124714
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCNC2)c(C)c1O
InChIInChI=1S/C14H20N2O2/c1-9-5-6-12(10(2)13(9)17)16-14(18)11-4-3-7-15-8-11/h5-6,11,15,17H,3-4,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNURFWGXQGCDYCS-NSHDSACASA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-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

N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide (CID 81124714) is (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCNC2)c(C)c1O.
What is the InChIKey of (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is NURFWGXQGCDYCS-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-6-12(10(2)13(9)17)16-14(18)11-4-3-7-15-8-11/h5-6,11,15,17H,3-4,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide?
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81124714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).