3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one

C15H24N2O2 — CID 45243521

IUPAC3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(CN2CCCCC2CCCO)c(=O)[nH]1
InChIInChI=1S/C15H24N2O2/c1-12-7-8-13(15(19)16-12)11-17-9-3-2-5-14(17)6-4-10-18/h7-8,14,18H,2-6,9-11H2,1H3,(H,16,19)
InChIKeyAZOSMYCGXOLUDB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.81
Rot. Bonds5

About 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one

3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 45243521) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one
PubChem CID45243521
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(CN2CCCCC2CCCO)c(=O)[nH]1
InChIInChI=1S/C15H24N2O2/c1-12-7-8-13(15(19)16-12)11-17-9-3-2-5-14(17)6-4-10-18/h7-8,14,18H,2-6,9-11H2,1H3,(H,16,19)
InChIKeyAZOSMYCGXOLUDB-UHFFFAOYSA-N
XLogP1.81
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 154890984
6-[(2-ethylpiperidin-1-yl)methyl]-N-(4-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
CID 45930261
5-Amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 43259597
3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 60954894
6-ethyl-4-{[2-(2-hydroxyethyl)piperidin-1-yl]carbonyl}pyridin-2(1H)-one
CID 74240293
6-ethyl-4-[(2R)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97917966
6-ethyl-4-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97917967
4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107358339
3-(Aminomethyl)-1-(6-hydroxyhexyl)-6-methylpyridin-2-one
CID 107706891
3-[2-(2-Hydroxyethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 108465770
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 113224893
N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113351778

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one (CID 45243521) is 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(CN2CCCCC2CCCO)c(=O)[nH]1.
What is the InChIKey of 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is AZOSMYCGXOLUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-7-8-13(15(19)16-12)11-17-9-3-2-5-14(17)6-4-10-18/h7-8,14,18H,2-6,9-11H2,1H3,(H,16,19).
What are the key properties of 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one?
3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-hydroxypropyl)piperidin-1-yl]methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 45243521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).