3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione

C13H22N2O2 — CID 64959112

IUPAC3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(C2CCCCC2C)C1=O
InChIInChI=1S/C13H22N2O2/c1-8-6-4-5-7-11(8)15-10(3)12(16)14-9(2)13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyUWCJXUASGSIMNV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds1

About 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione

3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione (PubChem CID 64959112) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione
PubChem CID64959112
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(C2CCCCC2C)C1=O
InChIInChI=1S/C13H22N2O2/c1-8-6-4-5-7-11(8)15-10(3)12(16)14-9(2)13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyUWCJXUASGSIMNV-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970393
3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
CID 114121775
2-cyclopentyl-5-methyl-3-(2-methylcyclopentyl)imidazolidin-4-one
CID 83257817
2-ethyl-5-methyl-3-(2-methylcyclohexyl)imidazolidin-4-one
CID 83237773
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3-tert-butyl-1-(2,3-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione
CID 64959127
3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916463
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
6-ethyl-1-(2-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64959124
3,6-diethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970415
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149567

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione (CID 64959112) is 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione is CC1NC(=O)C(C)N(C2CCCCC2C)C1=O.
What is the InChIKey of 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione?
The InChIKey is UWCJXUASGSIMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-6-4-5-7-11(8)15-10(3)12(16)14-9(2)13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione?
3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione is sourced from PubChem (CID 64959112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).