3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one

C13H18N2O3 — CID 43415883

IUPAC3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCC(O)C2)c(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-8-6-9(2)14-12(17)11(8)13(18)15-5-3-4-10(16)7-15/h6,10,16H,3-5,7H2,1-2H3,(H,14,17)
InChIKeyBMOVAIKDUNZXLL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.59
Rot. Bonds1

About 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one

3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 43415883) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
PubChem CID43415883
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCC(O)C2)c(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c1-8-6-9(2)14-12(17)11(8)13(18)15-5-3-4-10(16)7-15/h6,10,16H,3-5,7H2,1-2H3,(H,14,17)
InChIKeyBMOVAIKDUNZXLL-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one (CID 43415883) is 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCCC(O)C2)c(=O)[nH]1.
What is the InChIKey of 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is BMOVAIKDUNZXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-6-9(2)14-12(17)11(8)13(18)15-5-3-4-10(16)7-15/h6,10,16H,3-5,7H2,1-2H3,(H,14,17).
What are the key properties of 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypiperidine-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 43415883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).