3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione

C12H12FN3O3 — CID 104639186

IUPAC3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C12H12FN3O3/c1-2-9-11(18)15-10(17)6-16(9)12(19)8-4-3-7(13)5-14-8/h3-5,9H,2,6H2,1H3,(H,15,17,18)
InChIKeyQHQJWTYVGDOCOK-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.10
Rot. Bonds2

About 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione

3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione (PubChem CID 104639186) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
PubChem CID104639186
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C12H12FN3O3/c1-2-9-11(18)15-10(17)6-16(9)12(19)8-4-3-7(13)5-14-8/h3-5,9H,2,6H2,1H3,(H,15,17,18)
InChIKeyQHQJWTYVGDOCOK-UHFFFAOYSA-N
XLogP0.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.10
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

3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
CID 66068909
3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973136
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66068922
3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione
CID 66067262
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245317
4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067569
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654
4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245392
N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide
CID 66067197
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione (CID 104639186) is 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1ccc(F)cn1.
What is the InChIKey of 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione?
The InChIKey is QHQJWTYVGDOCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-2-9-11(18)15-10(17)6-16(9)12(19)8-4-3-7(13)5-14-8/h3-5,9H,2,6H2,1H3,(H,15,17,18).
What are the key properties of 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione?
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione has a molecular weight of 265.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 104639186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).