1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione

C13H22N2O3 — CID 83039442

IUPAC1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-10-12(17)15(8-11(16)14-10)9-5-6-18-13(2,3)7-9/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyXEGWQQRSZSTYMS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds2

About 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione

1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione (PubChem CID 83039442) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione
PubChem CID83039442
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-10-12(17)15(8-11(16)14-10)9-5-6-18-13(2,3)7-9/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyXEGWQQRSZSTYMS-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione (CID 83039442) is 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione is CCC1NC(=O)CN(C2CCOC(C)(C)C2)C1=O.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione?
The InChIKey is XEGWQQRSZSTYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-10-12(17)15(8-11(16)14-10)9-5-6-18-13(2,3)7-9/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione?
1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione is sourced from PubChem (CID 83039442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).