4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione

C12H20N2O3 — CID 66069304

IUPAC4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C(C)C(C)C
InChIInChI=1S/C12H20N2O3/c1-5-9-11(16)13-10(15)6-14(9)12(17)8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,13,15,16)
InChIKeyQZTIBHFPMUJJIA-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.54
Rot. Bonds3

About 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione

4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069304) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069304
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C(C)C(C)C
InChIInChI=1S/C12H20N2O3/c1-5-9-11(16)13-10(15)6-14(9)12(17)8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,13,15,16)
InChIKeyQZTIBHFPMUJJIA-UHFFFAOYSA-N
XLogP0.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-2-amino-3-methylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 79026797
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 66069151
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-methyl-3-oxopropanenitrile
CID 66067037
4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione
CID 104903657
2-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 77111976
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
CID 66069529
4-(2-amino-4-methylsulfonylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66068962
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
CID 66068741
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
4-[2-(3-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 106591584

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione (CID 66069304) is 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)C(C)C(C)C.
What is the InChIKey of 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is QZTIBHFPMUJJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-9-11(16)13-10(15)6-14(9)12(17)8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,13,15,16).
What are the key properties of 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione?
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 240.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).