3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione

C11H18N2O2 — CID 107902433

IUPAC3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
SMILESCC(C)=CCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)5-6-13-7-9(14)12-11(3,4)10(13)15/h5H,6-7H2,1-4H3,(H,12,14)
InChIKeyAOOMRMYCEXZGDI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds2

About 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione

3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione (PubChem CID 107902433) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
PubChem CID107902433
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
SMILESCC(C)=CCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)5-6-13-7-9(14)12-11(3,4)10(13)15/h5H,6-7H2,1-4H3,(H,12,14)
InChIKeyAOOMRMYCEXZGDI-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione 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

3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970606
1-(2-cyclopentyloxyethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64971714
3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 112592173
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331
1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64964121
3,3-dimethyl-1-(2-thiomorpholin-4-ylethyl)piperazine-2,5-dione
CID 106326374
1-[(4-iodophenyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 65491575
1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107902421
3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione
CID 114619325
3-tert-butyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902440

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione (CID 107902433) is 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione is CC(C)=CCN1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The InChIKey is AOOMRMYCEXZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)5-6-13-7-9(14)12-11(3,4)10(13)15/h5H,6-7H2,1-4H3,(H,12,14).
What are the key properties of 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 107902433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).