3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide

C15H22N2O2 — CID 24748401

IUPAC3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-5-13(8-12)9-16-15(19)17-7-3-6-14(10-17)11-18/h2,4-5,8,14,18H,3,6-7,9-11H2,1H3,(H,16,19)
InChIKeyCBUKTABUHKSETQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds3

About 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 24748401) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID24748401
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-5-13(8-12)9-16-15(19)17-7-3-6-14(10-17)11-18/h2,4-5,8,14,18H,3,6-7,9-11H2,1H3,(H,16,19)
InChIKeyCBUKTABUHKSETQ-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
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 ≤ 102

Analyze 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide (CID 24748401) is 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide is Cc1cccc(CNC(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is CBUKTABUHKSETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-2-5-13(8-12)9-16-15(19)17-7-3-6-14(10-17)11-18/h2,4-5,8,14,18H,3,6-7,9-11H2,1H3,(H,16,19).
What are the key properties of 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 24748401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).