1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

C14H20N2O2 — CID 82978861

IUPAC1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1ccccc1O
InChIInChI=1S/C14H20N2O2/c1-15-14(18)12-7-4-5-9-16(12)10-11-6-2-3-8-13(11)17/h2-3,6,8,12,17H,4-5,7,9-10H2,1H3,(H,15,18)
InChIKeyBBMNPYSGKVEWLD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.49
Rot. Bonds3

About 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 82978861) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID82978861
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1ccccc1O
InChIInChI=1S/C14H20N2O2/c1-15-14(18)12-7-4-5-9-16(12)10-11-6-2-3-8-13(11)17/h2-3,6,8,12,17H,4-5,7,9-10H2,1H3,(H,15,18)
InChIKeyBBMNPYSGKVEWLD-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.49
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

1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985657
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
1-[(3-carbamothioyl-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 107115446
N-methyl-1-(2-oxo-3-phenylpropyl)piperidine-2-carboxamide
CID 62036084
1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978718
N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
CID 74236742
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 79315103
1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103760645
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 82978861) is 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1ccccc1O.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is BBMNPYSGKVEWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-14(18)12-7-4-5-9-16(12)10-11-6-2-3-8-13(11)17/h2-3,6,8,12,17H,4-5,7,9-10H2,1H3,(H,15,18).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 82978861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).