(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide

C15H22N2O2 — CID 81128232

IUPAC(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)18)17(2)15(19)12-6-5-9-16-10-12/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyCWLSWUJSBYMKDJ-PIJUOVFKSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds3

About (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide

(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 81128232) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID81128232
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)18)17(2)15(19)12-6-5-9-16-10-12/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyCWLSWUJSBYMKDJ-PIJUOVFKSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 93370008
(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81129873
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716151
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164109
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperidine-3-carboxamide
CID 65487251
4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54874282
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364284
N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 91609234
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 112725664
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide (CID 81128232) is (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide is CC(c1ccccc1O)N(C)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is CWLSWUJSBYMKDJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)18)17(2)15(19)12-6-5-9-16-10-12/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81128232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).