(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide

C14H20N2O2 — CID 106954490

IUPAC(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCCN2)c(C)cc1O
InChIInChI=1S/C14H20N2O2/c1-9-8-13(17)10(2)7-12(9)16-14(18)11-5-3-4-6-15-11/h7-8,11,15,17H,3-6H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyUKVYWIGVIWNGMU-NSHDSACASA-N
MW248.33 g/mol
LogP2.09
Rot. Bonds2

About (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide

(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide (PubChem CID 106954490) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
PubChem CID106954490
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCCN2)c(C)cc1O
InChIInChI=1S/C14H20N2O2/c1-9-8-13(17)10(2)7-12(9)16-14(18)11-5-3-4-6-15-11/h7-8,11,15,17H,3-6H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyUKVYWIGVIWNGMU-NSHDSACASA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511
(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
CID 104914716
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
CID 119343326
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
N-(5-methyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 110837895

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide (CID 106954490) is (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCCN2)c(C)cc1O.
What is the InChIKey of (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide?
The InChIKey is UKVYWIGVIWNGMU-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-8-13(17)10(2)7-12(9)16-14(18)11-5-3-4-6-15-11/h7-8,11,15,17H,3-6H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide?
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 106954490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).