1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione

C13H24N2O2 — CID 64963911

IUPAC1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CC(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-13(7-2)11(17)15(8-10(16)14-13)9-12(3,4)5/h6-9H2,1-5H3,(H,14,16)
InChIKeyFRXHAPHMWMIFCW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione

1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione (PubChem CID 64963911) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
PubChem CID64963911
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CC(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-13(7-2)11(17)15(8-10(16)14-13)9-12(3,4)5/h6-9H2,1-5H3,(H,14,16)
InChIKeyFRXHAPHMWMIFCW-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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)-3,3-diethylpiperazine-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-diethyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine-2,5-dione
CID 79551117
1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619343
1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500
3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione
CID 64966952
3,3-diethyl-1-(2-ethylsulfinylethyl)piperazine-2,5-dione
CID 113495315
3,3-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627721
3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64969958
3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107057025
3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
CID 64963616
1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64963951
1-[(4-bromothiophen-2-yl)methyl]-3,3-diethylpiperazine-2,5-dione
CID 64883318

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione (CID 64963911) is 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione is CCC1(CC)NC(=O)CN(CC(C)(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione?
The InChIKey is FRXHAPHMWMIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-13(7-2)11(17)15(8-10(16)14-13)9-12(3,4)5/h6-9H2,1-5H3,(H,14,16).
What are the key properties of 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione?
1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64963911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).