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

C14H26N2O2 — CID 64959773

IUPAC3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1C(C)C(C)C
InChIInChI=1S/C14H26N2O2/c1-7-11-12(17)15-14(6,8-2)13(18)16(11)10(5)9(3)4/h9-11H,7-8H2,1-6H3,(H,15,17)
InChIKeyIJKBYBUTKFXZHI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds4

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

3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione (PubChem CID 64959773) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
PubChem CID64959773
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1C(C)C(C)C
InChIInChI=1S/C14H26N2O2/c1-7-11-12(17)15-14(6,8-2)13(18)16(11)10(5)9(3)4/h9-11H,7-8H2,1-6H3,(H,15,17)
InChIKeyIJKBYBUTKFXZHI-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 104830230
3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
CID 64957642
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480
5-ethyl-2-(4-fluorophenyl)-5-methyl-3-(3-methylbutan-2-yl)imidazolidin-4-one
CID 83248492
3-ethyl-3-methyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64885290
3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65053725
1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107898305
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64960140
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107902225
1-(dicyclopropylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64965656
1-(1-cyclopropylethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64960516

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione (CID 64959773) is 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1C(C)C(C)C.
What is the InChIKey of 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione?
The InChIKey is IJKBYBUTKFXZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-11-12(17)15-14(6,8-2)13(18)16(11)10(5)9(3)4/h9-11H,7-8H2,1-6H3,(H,15,17).
What are the key properties of 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione?
3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64959773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).