5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C13H18N2O3 — CID 110901892

IUPAC5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCCCC2CO)ccc1=O
InChIInChI=1S/C13H18N2O3/c1-14-8-10(5-6-12(14)17)13(18)15-7-3-2-4-11(15)9-16/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyMSAPHBMZWQZHGU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.37
Rot. Bonds2

About 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 110901892) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID110901892
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCCCC2CO)ccc1=O
InChIInChI=1S/C13H18N2O3/c1-14-8-10(5-6-12(14)17)13(18)15-7-3-2-4-11(15)9-16/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyMSAPHBMZWQZHGU-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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Related Compounds

5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 43114062
4-(3-Hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 43417269
4-[2-(Hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 43421075
5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 43421558
1-[3-[2-(Hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 43429951
(E)-1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 43572842
1-Methyl-5-(2-methylpiperidine-1-carbonyl)pyridin-2-one
CID 45825163
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60960113
5-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}-1-methyl-2(1H)-pyridinone
CID 70783689
N-{2-[2-(hydroxymethyl)piperidin-1-yl]ethyl}-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77092114
5-[3-(Hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 84458121
4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 93041213

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 110901892) is 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCCCC2CO)ccc1=O.
What is the InChIKey of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is MSAPHBMZWQZHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-8-10(5-6-12(14)17)13(18)15-7-3-2-4-11(15)9-16/h5-6,8,11,16H,2-4,7,9H2,1H3.
What are the key properties of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
5-[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 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 110901892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).