4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione

C14H16N2O4 — CID 66085533

IUPAC4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione
SMILESCCc1ccc(OCC(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C14H16N2O4/c1-2-10-3-5-11(6-4-10)20-9-14(19)16-7-12(17)15-13(18)8-16/h3-6H,2,7-9H2,1H3,(H,15,17,18)
InChIKeyCLZUYGFZOKPYCZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.11
Rot. Bonds4

About 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione

4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione (PubChem CID 66085533) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione
PubChem CID66085533
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione
SMILESCCc1ccc(OCC(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C14H16N2O4/c1-2-10-3-5-11(6-4-10)20-9-14(19)16-7-12(17)15-13(18)8-16/h3-6H,2,7-9H2,1H3,(H,15,17,18)
InChIKeyCLZUYGFZOKPYCZ-UHFFFAOYSA-N
XLogP0.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.11
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-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
CID 66085312
4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione
CID 66082939
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
CID 143724139
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(4-ethylphenoxy)ethanone;hydrochloride
CID 120659949
8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493997
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
1-(4-ethylphenoxy)propan-2-one
CID 21325379
2-(4-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8924861
2-(4-chlorophenoxy)-1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7330223
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione (CID 66085533) is 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione is CCc1ccc(OCC(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione?
The InChIKey is CLZUYGFZOKPYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-10-3-5-11(6-4-10)20-9-14(19)16-7-12(17)15-13(18)8-16/h3-6H,2,7-9H2,1H3,(H,15,17,18).
What are the key properties of 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione?
4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66085533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).