6-(furan-3-yl)-3-methylpiperidin-2-one

C10H13NO2 — CID 130010026

IUPAC6-(furan-3-yl)-3-methylpiperidin-2-one
SMILESCC1CCC(c2ccoc2)NC1=O
InChIInChI=1S/C10H13NO2/c1-7-2-3-9(11-10(7)12)8-4-5-13-6-8/h4-7,9H,2-3H2,1H3,(H,11,12)
InChIKeyLZGYPVLUPSWHKX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.87
Rot. Bonds1

About 6-(furan-3-yl)-3-methylpiperidin-2-one

6-(furan-3-yl)-3-methylpiperidin-2-one (PubChem CID 130010026) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(furan-3-yl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name6-(furan-3-yl)-3-methylpiperidin-2-one
PubChem CID130010026
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-(furan-3-yl)-3-methylpiperidin-2-one
SMILESCC1CCC(c2ccoc2)NC1=O
InChIInChI=1S/C10H13NO2/c1-7-2-3-9(11-10(7)12)8-4-5-13-6-8/h4-7,9H,2-3H2,1H3,(H,11,12)
InChIKeyLZGYPVLUPSWHKX-UHFFFAOYSA-N
XLogP1.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(furan-3-yl)-3-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796
5-(furan-3-yl)pyrrolidine-2-carboxylic acid
CID 55282588
5-(furan-3-yl)-4,5-dihydro-1H-pyrazole
CID 59339389
3-(4-methyl-1,3-dioxetan-2-yl)furan
CID 89039034
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
3-(furan-3-yl)cyclopentan-1-one
CID 64522121
5-(furan-3-yl)-1,3-oxazolidine-2,4-dione
CID 12962584
1-[2-(furan-3-yl)cyclopropyl]ethanone
CID 63204245
(4R)-4-(furan-3-yl)-3-methylcyclopent-2-en-1-one
CID 164574449
3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359834
3-(furan-3-yl)-2-methyl-N-propylcyclopentan-1-amine
CID 64909662
2-ethylbutan-1-ol;4-(furan-3-yl)piperidine
CID 142245522

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-3-methylpiperidin-2-one?
The IUPAC name of 6-(furan-3-yl)-3-methylpiperidin-2-one (CID 130010026) is 6-(furan-3-yl)-3-methylpiperidin-2-one.
What is the SMILES notation for 6-(furan-3-yl)-3-methylpiperidin-2-one?
The canonical SMILES for 6-(furan-3-yl)-3-methylpiperidin-2-one is CC1CCC(c2ccoc2)NC1=O.
What is the InChIKey of 6-(furan-3-yl)-3-methylpiperidin-2-one?
The InChIKey is LZGYPVLUPSWHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-2-3-9(11-10(7)12)8-4-5-13-6-8/h4-7,9H,2-3H2,1H3,(H,11,12).
What are the key properties of 6-(furan-3-yl)-3-methylpiperidin-2-one?
6-(furan-3-yl)-3-methylpiperidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-3-methylpiperidin-2-one is sourced from PubChem (CID 130010026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).