3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione

C13H22N2O2 — CID 113486061

IUPAC3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(C2(C)CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-5-13(6-2)11(17)15(12(4)7-8-12)9(3)10(16)14-13/h9H,5-8H2,1-4H3,(H,14,16)
InChIKeyWQGBBNOICPAYKZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds3

About 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione

3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione (PubChem CID 113486061) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione
PubChem CID113486061
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(C2(C)CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-5-13(6-2)11(17)15(12(4)7-8-12)9(3)10(16)14-13/h9H,5-8H2,1-4H3,(H,14,16)
InChIKeyWQGBBNOICPAYKZ-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,6-trimethyl-1-(1-methylcyclohexyl)piperazine-2,5-dione
CID 64968258
1-cyclopropyl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958476
3-methyl-4-(1-methylcyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64968199
3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
CID 113464217
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818
3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210991
3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210995
3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
CID 64971742
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64884815
3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64958015
1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958952
1-but-3-yn-2-yl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 114420520

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione (CID 113486061) is 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(C2(C)CC2)C1=O.
What is the InChIKey of 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione?
The InChIKey is WQGBBNOICPAYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-13(6-2)11(17)15(12(4)7-8-12)9(3)10(16)14-13/h9H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione?
3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione is sourced from PubChem (CID 113486061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).