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

C14H24N2O3 — CID 82737026

IUPAC3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1C1CCOC1C
InChIInChI=1S/C14H24N2O3/c1-5-10-12(17)15-14(4,6-2)13(18)16(10)11-7-8-19-9(11)3/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyCTQHIXWDCFDHED-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds3

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

3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione (PubChem CID 82737026) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
PubChem CID82737026
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1C1CCOC1C
InChIInChI=1S/C14H24N2O3/c1-5-10-12(17)15-14(4,6-2)13(18)16(10)11-7-8-19-9(11)3/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyCTQHIXWDCFDHED-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diethyl-3-methyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970369
5-ethyl-5-methyl-3-(2-methyloxolan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83260746
6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82737139
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64887574
3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82736694
1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 107415608
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82736239
1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64969396
3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 82736808
3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959773

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione (CID 82737026) is 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1C1CCOC1C.
What is the InChIKey of 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The InChIKey is CTQHIXWDCFDHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-10-12(17)15-14(4,6-2)13(18)16(10)11-7-8-19-9(11)3/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 82737026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).