1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

C13H24N2O2 — CID 64963887

IUPAC1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-7-13(6)11(17)15(8-12(3,4)5)9(2)10(16)14-13/h9H,7-8H2,1-6H3,(H,14,16)
InChIKeyKVKIPZZBCCVTCF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64963887) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64963887
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-7-13(6)11(17)15(8-12(3,4)5)9(2)10(16)14-13/h9H,7-8H2,1-6H3,(H,14,16)
InChIKeyKVKIPZZBCCVTCF-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-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

1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290614
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 83255826
3-ethyl-3,6-dimethyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160161
3-ethyl-3,6-dimethyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484519
3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733595

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (CID 64963887) is 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(CC(C)(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is KVKIPZZBCCVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-7-13(6)11(17)15(8-12(3,4)5)9(2)10(16)14-13/h9H,7-8H2,1-6H3,(H,14,16).
What are the key properties of 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64963887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).