4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C13H18N2O3 — CID 43422095

IUPAC4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC(CO)C2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-14-6-4-11(7-12(14)17)13(18)15-5-2-3-10(8-15)9-16/h4,6-7,10,16H,2-3,5,8-9H2,1H3
InChIKeyOBCGDIKBFOVGRP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.23
Rot. Bonds2

About 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 43422095) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID43422095
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC(CO)C2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-14-6-4-11(7-12(14)17)13(18)15-5-2-3-10(8-15)9-16/h4,6-7,10,16H,2-3,5,8-9H2,1H3
InChIKeyOBCGDIKBFOVGRP-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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 43422095) is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCCC(CO)C2)cc1=O.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is OBCGDIKBFOVGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-6-4-11(7-12(14)17)13(18)15-5-2-3-10(8-15)9-16/h4,6-7,10,16H,2-3,5,8-9H2,1H3.
What are the key properties of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[3-(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-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 43422095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).