1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione

C14H14F2N2O3 — CID 62017862

IUPAC1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(CC(=O)c2ccc(F)cc2F)C(=O)C1=O
InChIInChI=1S/C14H14F2N2O3/c1-2-17-5-6-18(14(21)13(17)20)8-12(19)10-4-3-9(15)7-11(10)16/h3-4,7H,2,5-6,8H2,1H3
InChIKeyZUQKAXDCXXZUST-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.84
Rot. Bonds4

About 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione

1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione (PubChem CID 62017862) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
PubChem CID62017862
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(CC(=O)c2ccc(F)cc2F)C(=O)C1=O
InChIInChI=1S/C14H14F2N2O3/c1-2-17-5-6-18(14(21)13(17)20)8-12(19)10-4-3-9(15)7-11(10)16/h3-4,7H,2,5-6,8H2,1H3
InChIKeyZUQKAXDCXXZUST-UHFFFAOYSA-N
XLogP0.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
4-tert-butyl-1-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512276
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943
2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62091099
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone
CID 21253998
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366677
2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
1-(2,4-difluorophenyl)-2-(ethylamino)ethanone
CID 82282170

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione (CID 62017862) is 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(CC(=O)c2ccc(F)cc2F)C(=O)C1=O.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is ZUQKAXDCXXZUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-2-17-5-6-18(14(21)13(17)20)8-12(19)10-4-3-9(15)7-11(10)16/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione?
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 296.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 62017862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).