3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one

C13H18N2O3 — CID 115875307

IUPAC3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(C)(O)C2)c(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-10(11(16)14-9)12(17)15-7-3-6-13(2,18)8-15/h4-5,18H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyLTAQVYKNIFNLOU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.67
Rot. Bonds1

About 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one

3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 115875307) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID115875307
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(C)(O)C2)c(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-10(11(16)14-9)12(17)15-7-3-6-13(2,18)8-15/h4-5,18H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyLTAQVYKNIFNLOU-UHFFFAOYSA-N
XLogP0.67
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one (CID 115875307) is 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCCC(C)(O)C2)c(=O)[nH]1.
What is the InChIKey of 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is LTAQVYKNIFNLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-5-10(11(16)14-9)12(17)15-7-3-6-13(2,18)8-15/h4-5,18H,3,6-8H2,1-2H3,(H,14,16).
What are the key properties of 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 115875307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).