3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione

C16H30N2O2 — CID 64966952

IUPAC3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C(C)(C)CC(C)(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-8-16(9-2)13(20)18(10-12(19)17-16)15(6,7)11-14(3,4)5/h8-11H2,1-7H3,(H,17,19)
InChIKeyQTHRNGCHVHJXCD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds4

About 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione

3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione (PubChem CID 64966952) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione
PubChem CID64966952
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C(C)(C)CC(C)(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-8-16(9-2)13(20)18(10-12(19)17-16)15(6,7)11-14(3,4)5/h8-11H2,1-7H3,(H,17,19)
InChIKeyQTHRNGCHVHJXCD-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
CID 64963911
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-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959698
1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892
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-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
CID 113472045
3-butan-2-yl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione
CID 64966976
3,3-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627721
3,3-diethyl-1-(2-ethylsulfinylethyl)piperazine-2,5-dione
CID 113495315
1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione
CID 79516659

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione (CID 64966952) is 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione is CCC1(CC)NC(=O)CN(C(C)(C)CC(C)(C)C)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione?
The InChIKey is QTHRNGCHVHJXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-8-16(9-2)13(20)18(10-12(19)17-16)15(6,7)11-14(3,4)5/h8-11H2,1-7H3,(H,17,19).
What are the key properties of 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione?
3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64966952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).