1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione

C13H22N2O2 — CID 64971832

IUPAC1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione
SMILESCC1CCC(N2CC(=O)NC(C)C2=O)C(C)C1
InChIInChI=1S/C13H22N2O2/c1-8-4-5-11(9(2)6-8)15-7-12(16)14-10(3)13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyAANSSXLKNMGCGO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds1

About 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione

1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione (PubChem CID 64971832) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione
PubChem CID64971832
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione
SMILESCC1CCC(N2CC(=O)NC(C)C2=O)C(C)C1
InChIInChI=1S/C13H22N2O2/c1-8-4-5-11(9(2)6-8)15-7-12(16)14-10(3)13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyAANSSXLKNMGCGO-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylcyclohexyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64971821
2-cyclopentyl-3-(2,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
CID 83263585
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
1-(2,4-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 112598012
1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948158
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972368
(3S)-1-tert-butyl-3-methylpiperazine-2,5-dione
CID 170050689
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64881374
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
1-(2,4-dimethylcyclohexyl)-2-methylpiperidin-4-one
CID 63996295
1-[(3-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107415635

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione (CID 64971832) is 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione is CC1CCC(N2CC(=O)NC(C)C2=O)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione?
The InChIKey is AANSSXLKNMGCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-4-5-11(9(2)6-8)15-7-12(16)14-10(3)13(15)17/h8-11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione?
1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64971832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).