2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one

C11H15NO2 — CID 82402066

IUPAC2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one
SMILESCc1cc(C2CC(=O)CC(C)N2)co1
InChIInChI=1S/C11H15NO2/c1-7-3-10(13)5-11(12-7)9-4-8(2)14-6-9/h4,6-7,11-12H,3,5H2,1-2H3
InChIKeySXKIRXGVYKRTLP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds1

About 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one

2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one (PubChem CID 82402066) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one
PubChem CID82402066
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one
SMILESCc1cc(C2CC(=O)CC(C)N2)co1
InChIInChI=1S/C11H15NO2/c1-7-3-10(13)5-11(12-7)9-4-8(2)14-6-9/h4,6-7,11-12H,3,5H2,1-2H3
InChIKeySXKIRXGVYKRTLP-UHFFFAOYSA-N
XLogP1.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one
CID 70165727
5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 82385180
2,6-dimethylpiperidin-4-one
CID 11040712
2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one
CID 82385584
2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one
CID 82401920
2-(5-methylfuran-3-yl)pyrrolidine
CID 82594860
2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one
CID 82401919
2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175903666
(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 164725953
2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one
CID 82384450
2-ethyl-6-methylpiperidin-4-one
CID 85436511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one?
The IUPAC name of 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one (CID 82402066) is 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one.
What is the SMILES notation for 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one?
The canonical SMILES for 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one is Cc1cc(C2CC(=O)CC(C)N2)co1.
What is the InChIKey of 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one?
The InChIKey is SXKIRXGVYKRTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-10(13)5-11(12-7)9-4-8(2)14-6-9/h4,6-7,11-12H,3,5H2,1-2H3.
What are the key properties of 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one?
2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methylfuran-3-yl)piperidin-4-one is sourced from PubChem (CID 82402066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).