1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide

C15H22N2O2 — CID 112553393

IUPAC1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cccc(C)c2O)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)18)10-17-8-6-12(7-9-17)15(19)16-2/h3-5,12,18H,6-10H2,1-2H3,(H,16,19)
InChIKeyTZSLBEARRHHZHH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide

1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 112553393) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID112553393
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cccc(C)c2O)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)18)10-17-8-6-12(7-9-17)15(19)16-2/h3-5,12,18H,6-10H2,1-2H3,(H,16,19)
InChIKeyTZSLBEARRHHZHH-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 112553604
2-methyl-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]phenol
CID 115903837
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 114327054
1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 114478612
1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151899
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79039473
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
CID 78997161
1-[(2-amino-6-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 43575533

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 112553393) is 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cccc(C)c2O)CC1.
What is the InChIKey of 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is TZSLBEARRHHZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)18)10-17-8-6-12(7-9-17)15(19)16-2/h3-5,12,18H,6-10H2,1-2H3,(H,16,19).
What are the key properties of 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 112553393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).