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

C13H22N2O3 — CID 82736239

IUPAC3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C2CCOC2C)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-13(5-2)12(17)15(8-11(16)14-13)10-6-7-18-9(10)3/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyYMZDXIIEJXQLND-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds3

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

3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione (PubChem CID 82736239) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
PubChem CID82736239
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C2CCOC2C)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-13(5-2)12(17)15(8-11(16)14-13)10-6-7-18-9(10)3/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyYMZDXIIEJXQLND-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione (CID 82736239) is 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione is CCC1(CC)NC(=O)CN(C2CCOC2C)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The InChIKey is YMZDXIIEJXQLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-13(5-2)12(17)15(8-11(16)14-13)10-6-7-18-9(10)3/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 82736239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).