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

C15H31N3O4 — CID 143412767

IUPAC(5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one
SMILESCC.CC.CC1NC(=O)C(=O)N[C@@H]1C.CCN1CCOC1=O
InChIInChI=1S/C6H10N2O2.C5H9NO2.2C2H6/c1-3-4(2)8-6(10)5(9)7-3;1-2-6-3-4-8-5(6)7;2*1-2/h3-4H,1-2H3,(H,7,9)(H,8,10);2-4H2,1H3;2*1-2H3/t3-,4?;;;/m1.../s1
InChIKeyBZBCUTXXJBFFEJ-GVXSQMCGSA-N
MW317.43 g/mol
LogP1.52
Rot. Bonds1

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

(5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one (PubChem CID 143412767) has the molecular formula C15H31N3O4 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one
PubChem CID143412767
Molecular FormulaC15H31N3O4
Molecular Weight317.43 g/mol
Exact Mass317.23
IUPAC Name(5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one
SMILESCC.CC.CC1NC(=O)C(=O)N[C@@H]1C.CCN1CCOC1=O
InChIInChI=1S/C6H10N2O2.C5H9NO2.2C2H6/c1-3-4(2)8-6(10)5(9)7-3;1-2-6-3-4-8-5(6)7;2*1-2/h3-4H,1-2H3,(H,7,9)(H,8,10);2-4H2,1H3;2*1-2H3/t3-,4?;;;/m1.../s1
InChIKeyBZBCUTXXJBFFEJ-GVXSQMCGSA-N
XLogP1.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.52
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 (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one (CID 143412767) is (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one is CC.CC.CC1NC(=O)C(=O)N[C@@H]1C.CCN1CCOC1=O.
What is the InChIKey of (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is BZBCUTXXJBFFEJ-GVXSQMCGSA-N. The full InChI is InChI=1S/C6H10N2O2.C5H9NO2.2C2H6/c1-3-4(2)8-6(10)5(9)7-3;1-2-6-3-4-8-5(6)7;2*1-2/h3-4H,1-2H3,(H,7,9)(H,8,10);2-4H2,1H3;2*1-2H3/t3-,4?;;;/m1.../s1.
What are the key properties of (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one?
(5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,6-dimethylpiperazine-2,3-dione;ethane;3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143412767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).