3-methyl-1-(3-oxocyclohexyl)piperidin-4-one

C12H19NO2 — CID 114501314

IUPAC3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
SMILESCC1CN(C2CCCC(=O)C2)CCC1=O
InChIInChI=1S/C12H19NO2/c1-9-8-13(6-5-12(9)15)10-3-2-4-11(14)7-10/h9-10H,2-8H2,1H3
InChIKeyHTQAWHBRIJZICP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds1

About 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one

3-methyl-1-(3-oxocyclohexyl)piperidin-4-one (PubChem CID 114501314) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
PubChem CID114501314
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
SMILESCC1CN(C2CCCC(=O)C2)CCC1=O
InChIInChI=1S/C12H19NO2/c1-9-8-13(6-5-12(9)15)10-3-2-4-11(14)7-10/h9-10H,2-8H2,1H3
InChIKeyHTQAWHBRIJZICP-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(3-oxocyclohexyl)piperidin-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

6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 69483483
3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
CID 79619295
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 79934846
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
CID 64741839
1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
CID 114500280
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
CID 130899222
3-(3-methyl-4-oxopiperidin-1-yl)azepan-2-one
CID 114500316
1-(2-hydroxycycloheptyl)-3-methylpiperidin-4-one
CID 114500475
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-one
CID 79934767
3-methylcyclohexan-1-one;2-methylcyclopentan-1-one
CID 69228186
(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one
CID 124516728

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one (CID 114501314) is 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one is CC1CN(C2CCCC(=O)C2)CCC1=O.
What is the InChIKey of 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one?
The InChIKey is HTQAWHBRIJZICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-8-13(6-5-12(9)15)10-3-2-4-11(14)7-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one?
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-oxocyclohexyl)piperidin-4-one is sourced from PubChem (CID 114501314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).