4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione

C13H16N2O4 — CID 66073806

IUPAC4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCCc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)o1
InChIInChI=1S/C13H16N2O4/c1-4-8-5-6-9(19-8)11(17)15-7-10(16)14-12(18)13(15,2)3/h5-6H,4,7H2,1-3H3,(H,14,16,18)
InChIKeyAEEDDPNOTDILDK-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.72
Rot. Bonds2

About 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione

4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66073806) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66073806
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCCc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)o1
InChIInChI=1S/C13H16N2O4/c1-4-8-5-6-9(19-8)11(17)15-7-10(16)14-12(18)13(15,2)3/h5-6H,4,7H2,1-3H3,(H,14,16,18)
InChIKeyAEEDDPNOTDILDK-UHFFFAOYSA-N
XLogP0.72
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074370
4-(5-ethylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 47170039
4-[2-(4-bromophenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074596
3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione
CID 66073832
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
3,3-dimethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66076495
1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone
CID 79094761
4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074178
4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 124607399
4-(3-aminopyridine-4-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 105070550
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073828
4-(3-amino-2-chlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 115930586

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 66073806) is 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CCc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)o1.
What is the InChIKey of 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is AEEDDPNOTDILDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-8-5-6-9(19-8)11(17)15-7-10(16)14-12(18)13(15,2)3/h5-6H,4,7H2,1-3H3,(H,14,16,18).
What are the key properties of 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66073806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).