4-(2-ethylbutanoyl)piperazine-2,6-dione

C10H16N2O3 — CID 66084705

IUPAC4-(2-ethylbutanoyl)piperazine-2,6-dione
SMILESCCC(CC)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H16N2O3/c1-3-7(4-2)10(15)12-5-8(13)11-9(14)6-12/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyIFNGWRFGZBPMEO-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.09
Rot. Bonds3

About 4-(2-ethylbutanoyl)piperazine-2,6-dione

4-(2-ethylbutanoyl)piperazine-2,6-dione (PubChem CID 66084705) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(2-ethylbutanoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-ethylbutanoyl)piperazine-2,6-dione
PubChem CID66084705
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(2-ethylbutanoyl)piperazine-2,6-dione
SMILESCCC(CC)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H16N2O3/c1-3-7(4-2)10(15)12-5-8(13)11-9(14)6-12/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyIFNGWRFGZBPMEO-UHFFFAOYSA-N
XLogP-0.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-ethylbutanoyl)piperazine-2,6-dione (CID 66084705) is 4-(2-ethylbutanoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-ethylbutanoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-ethylbutanoyl)piperazine-2,6-dione is CCC(CC)C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-ethylbutanoyl)piperazine-2,6-dione?
The InChIKey is IFNGWRFGZBPMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-7(4-2)10(15)12-5-8(13)11-9(14)6-12/h7H,3-6H2,1-2H3,(H,11,13,14).
What are the key properties of 4-(2-ethylbutanoyl)piperazine-2,6-dione?
4-(2-ethylbutanoyl)piperazine-2,6-dione has a molecular weight of 212.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoyl)piperazine-2,6-dione is sourced from PubChem (CID 66084705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).