3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C17H24N2O3 — CID 70748709

IUPAC3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)=CCC1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C17H24N2O3/c1-13(2)6-8-17(12-20)7-4-10-19(11-17)16(22)14-5-3-9-18-15(14)21/h3,5-6,9,20H,4,7-8,10-12H2,1-2H3,(H,18,21)
InChIKeyXJKCUCWOGDEWNA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.95
Rot. Bonds4

About 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70748709) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70748709
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)=CCC1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C17H24N2O3/c1-13(2)6-8-17(12-20)7-4-10-19(11-17)16(22)14-5-3-9-18-15(14)21/h3,5-6,9,20H,4,7-8,10-12H2,1-2H3,(H,18,21)
InChIKeyXJKCUCWOGDEWNA-UHFFFAOYSA-N
XLogP1.95
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70748709) is 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one is CC(C)=CCC1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XJKCUCWOGDEWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)6-8-17(12-20)7-4-10-19(11-17)16(22)14-5-3-9-18-15(14)21/h3,5-6,9,20H,4,7-8,10-12H2,1-2H3,(H,18,21).
What are the key properties of 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70748709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).