1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide

C19H22N2O2 — CID 60563080

IUPAC1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-18-11-5-4-10-17(18)20-19(23)16-9-6-12-21(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,22H,6,9,12-14H2,(H,20,23)
InChIKeyDYLCJRHEFTTXBM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.24
Rot. Bonds4

About 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide

1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide (PubChem CID 60563080) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
PubChem CID60563080
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-18-11-5-4-10-17(18)20-19(23)16-9-6-12-21(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,22H,6,9,12-14H2,(H,20,23)
InChIKeyDYLCJRHEFTTXBM-UHFFFAOYSA-N
XLogP3.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide (CID 60563080) is 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide?
The InChIKey is DYLCJRHEFTTXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-11-5-4-10-17(18)20-19(23)16-9-6-12-21(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,22H,6,9,12-14H2,(H,20,23).
What are the key properties of 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide?
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 60563080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).