1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one

C12H21NO2 — CID 130964873

IUPAC1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one
SMILESCC1CC(N2CCC(=O)C(C)C2)C(C)O1
InChIInChI=1S/C12H21NO2/c1-8-7-13(5-4-12(8)14)11-6-9(2)15-10(11)3/h8-11H,4-7H2,1-3H3
InChIKeyOEDIYRCVEHFYOZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.46
Rot. Bonds1

About 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one

1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one (PubChem CID 130964873) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one
PubChem CID130964873
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one
SMILESCC1CC(N2CCC(=O)C(C)C2)C(C)O1
InChIInChI=1S/C12H21NO2/c1-8-7-13(5-4-12(8)14)11-6-9(2)15-10(11)3/h8-11H,4-7H2,1-3H3
InChIKeyOEDIYRCVEHFYOZ-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-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

1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one
CID 63996285
2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 114501164
3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
CID 130899222
1-(2-hydroxycycloheptyl)-3-methylpiperidin-4-one
CID 114500475
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
CID 114501314
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
CID 64741839
1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
CID 114500280
1-(2,6-dimethyloxan-4-yl)piperidin-4-one
CID 164664323
3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one
CID 130992749
1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one
CID 130532303
3-(3-methyl-4-oxopiperidin-1-yl)azepan-2-one
CID 114500316
(4S,6R)-1,4,6-trimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]oxazol-2-one
CID 158379552

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one (CID 130964873) is 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one is CC1CC(N2CCC(=O)C(C)C2)C(C)O1.
What is the InChIKey of 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one?
The InChIKey is OEDIYRCVEHFYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8-7-13(5-4-12(8)14)11-6-9(2)15-10(11)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one?
1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one has a molecular weight of 211.30 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one is sourced from PubChem (CID 130964873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).