4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one

C12H16N2O3 — CID 103878864

IUPAC4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC1(O)CCCN(C(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C12H16N2O3/c1-12(17)4-2-6-14(8-12)11(16)9-3-5-13-10(15)7-9/h3,5,7,17H,2,4,6,8H2,1H3,(H,13,15)
InChIKeyHPWDWYHBYSQJMC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.36
Rot. Bonds1

About 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one

4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 103878864) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID103878864
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC1(O)CCCN(C(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C12H16N2O3/c1-12(17)4-2-6-14(8-12)11(16)9-3-5-13-10(15)7-9/h3,5,7,17H,2,4,6,8H2,1H3,(H,13,15)
InChIKeyHPWDWYHBYSQJMC-UHFFFAOYSA-N
XLogP0.36
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one (CID 103878864) is 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one is CC1(O)CCCN(C(=O)c2cc[nH]c(=O)c2)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is HPWDWYHBYSQJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(17)4-2-6-14(8-12)11(16)9-3-5-13-10(15)7-9/h3,5,7,17H,2,4,6,8H2,1H3,(H,13,15).
What are the key properties of 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one?
4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 103878864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).