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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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).