N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide

C17H26N2O2 — CID 795617

IUPACN-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C17H26N2O2/c1-3-13(2)18-17(21)14-8-10-19(11-9-14)12-15-6-4-5-7-16(15)20/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyYLFYDBCHMRQZHF-CYBMUJFWSA-N
MW290.41 g/mol
LogP2.52
Rot. Bonds5

About N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide

N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 795617) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID795617
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C17H26N2O2/c1-3-13(2)18-17(21)14-8-10-19(11-9-14)12-15-6-4-5-7-16(15)20/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyYLFYDBCHMRQZHF-CYBMUJFWSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.52
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

N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 134799756
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 94223708
N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807667
N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036243
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43923580
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide (CID 795617) is N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide is CC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YLFYDBCHMRQZHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-13(2)18-17(21)14-8-10-19(11-9-14)12-15-6-4-5-7-16(15)20/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 795617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).