1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione

C8H13FN2O2 — CID 142485447

IUPAC1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione
SMILESCCN1CCN(CCF)C(=O)C1=O
InChIInChI=1S/C8H13FN2O2/c1-2-10-5-6-11(4-3-9)8(13)7(10)12/h2-6H2,1H3
InChIKeyKNIQIXWVEWUQCA-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.35
Rot. Bonds3

About 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione

1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione (PubChem CID 142485447) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione
PubChem CID142485447
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione
SMILESCCN1CCN(CCF)C(=O)C1=O
InChIInChI=1S/C8H13FN2O2/c1-2-10-5-6-11(4-3-9)8(13)7(10)12/h2-6H2,1H3
InChIKeyKNIQIXWVEWUQCA-UHFFFAOYSA-N
XLogP-0.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-(1,4-Piperazinediyl)bis(ethanone)
CID 95851
1,4-Dimethylpiperazine-2,3-dione
CID 322983
1,4-Dimethylpiperazine-2,5-dione
CID 78761
1,4-Diacetyl-2,5-piperazinedione
CID 540371
1,4-Bis(trifluoroacetyl)piperazine
CID 239003
1-[4-(2,2-Difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone
CID 787902
1-(4-Ethyl-1-piperazinyl)-2,2,2-trifluoroethanone
CID 4079270
4-Methyl-3-oxopiperazine-1-carbonyl chloride
CID 15582244
4-Methyl-3-oxopiperazine-1-carbonitrile
CID 104185585
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-2,2,2-trifluoroethanone
CID 13994781
Ethanone, 1-[4-(2-fluoropropyl)-1-piperazinyl]-
CID 45119588
1,4-Dibutylpiperazine-2,5-dione
CID 19902955

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione (CID 142485447) is 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione is CCN1CCN(CCF)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione?
The InChIKey is KNIQIXWVEWUQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c1-2-10-5-6-11(4-3-9)8(13)7(10)12/h2-6H2,1H3.
What are the key properties of 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione?
1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione has a molecular weight of 188.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluoroethyl)piperazine-2,3-dione is sourced from PubChem (CID 142485447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).