4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C13H18N2O3 — CID 47003370

IUPAC4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC(CO)CC2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-14-5-4-11(8-12(14)17)13(18)15-6-2-10(9-16)3-7-15/h4-5,8,10,16H,2-3,6-7,9H2,1H3
InChIKeyJCYLFIAOTOOSAY-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.23
Rot. Bonds2

About 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 47003370) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID47003370
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC(CO)CC2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-14-5-4-11(8-12(14)17)13(18)15-6-2-10(9-16)3-7-15/h4-5,8,10,16H,2-3,6-7,9H2,1H3
InChIKeyJCYLFIAOTOOSAY-UHFFFAOYSA-N
XLogP0.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one 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 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 47003370) is 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCC(CO)CC2)cc1=O.
What is the InChIKey of 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is JCYLFIAOTOOSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-5-4-11(8-12(14)17)13(18)15-6-2-10(9-16)3-7-15/h4-5,8,10,16H,2-3,6-7,9H2,1H3.
What are the key properties of 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 47003370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).