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

C13H18N2O3 — CID 43421075

IUPAC4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCCC2CO)cc1=O
InChIInChI=1S/C13H18N2O3/c1-14-7-5-10(8-12(14)17)13(18)15-6-3-2-4-11(15)9-16/h5,7-8,11,16H,2-4,6,9H2,1H3
InChIKeyAQDPMKQCDSZZLS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.37
Rot. Bonds2

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

4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 43421075) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID43421075
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCCC2CO)cc1=O
InChIInChI=1S/C13H18N2O3/c1-14-7-5-10(8-12(14)17)13(18)15-6-3-2-4-11(15)9-16/h5,7-8,11,16H,2-4,6,9H2,1H3
InChIKeyAQDPMKQCDSZZLS-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 43421075) is 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCCCC2CO)cc1=O.
What is the InChIKey of 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is AQDPMKQCDSZZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-7-5-10(8-12(14)17)13(18)15-6-3-2-4-11(15)9-16/h5,7-8,11,16H,2-4,6,9H2,1H3.
What are the key properties of 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 43421075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).