5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one

C13H25N3O4 — CID 143562276

IUPAC5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one
SMILESCC.CC1NC(=O)C(=O)NC1C.CCN1CCOC1=O
InChIInChI=1S/C6H10N2O2.C5H9NO2.C2H6/c1-3-4(2)8-6(10)5(9)7-3;1-2-6-3-4-8-5(6)7;1-2/h3-4H,1-2H3,(H,7,9)(H,8,10);2-4H2,1H3;1-2H3
InChIKeyGCEIBZMYLLXMEB-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.49
Rot. Bonds1

About 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one

5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one (PubChem CID 143562276) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one
PubChem CID143562276
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one
SMILESCC.CC1NC(=O)C(=O)NC1C.CCN1CCOC1=O
InChIInChI=1S/C6H10N2O2.C5H9NO2.C2H6/c1-3-4(2)8-6(10)5(9)7-3;1-2-6-3-4-8-5(6)7;1-2/h3-4H,1-2H3,(H,7,9)(H,8,10);2-4H2,1H3;1-2H3
InChIKeyGCEIBZMYLLXMEB-UHFFFAOYSA-N
XLogP0.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one (CID 143562276) is 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one is CC.CC1NC(=O)C(=O)NC1C.CCN1CCOC1=O.
What is the InChIKey of 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is GCEIBZMYLLXMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.C5H9NO2.C2H6/c1-3-4(2)8-6(10)5(9)7-3;1-2-6-3-4-8-5(6)7;1-2/h3-4H,1-2H3,(H,7,9)(H,8,10);2-4H2,1H3;1-2H3.
What are the key properties of 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one?
5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one has a molecular weight of 287.36 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143562276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).