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

C13H22N2O3 — CID 64902249

IUPAC3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(CC)N(C2CCOC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-10-11(16)15(9-6-7-18-8-9)13(3,5-2)12(17)14-10/h9-10H,4-8H2,1-3H3,(H,14,17)
InChIKeyRTDXBHKRAVYUEN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds3

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

3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 64902249) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID64902249
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(CC)N(C2CCOC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-10-11(16)15(9-6-7-18-8-9)13(3,5-2)12(17)14-10/h9-10H,4-8H2,1-3H3,(H,14,17)
InChIKeyRTDXBHKRAVYUEN-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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Related Compounds

6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64901545
6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874208
1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 82924165
1-cyclohexyl-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 82936542
3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910128
3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64901324
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64900912
5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione
CID 115431325
2-cyclopentyl-5-ethyl-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270682
6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901613
3-(oxolan-3-yl)-2,5-dipropylimidazolidin-4-one
CID 83271242

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione (CID 64902249) is 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione is CCC1NC(=O)C(C)(CC)N(C2CCOC2)C1=O.
What is the InChIKey of 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is RTDXBHKRAVYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-10-11(16)15(9-6-7-18-8-9)13(3,5-2)12(17)14-10/h9-10H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione?
3,6-diethyl-6-methyl-1-(oxolan-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 3,6-diethyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64902249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).