3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione

C13H15FN2O3 — CID 64966592

IUPAC3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccc(F)cc2OC)C1=O
InChIInChI=1S/C13H15FN2O3/c1-3-9-13(18)16(7-12(17)15-9)10-5-4-8(14)6-11(10)19-2/h4-6,9H,3,7H2,1-2H3,(H,15,17)
InChIKeyHBULUEXTXROTRY-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.08
Rot. Bonds3

About 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione

3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione (PubChem CID 64966592) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
PubChem CID64966592
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccc(F)cc2OC)C1=O
InChIInChI=1S/C13H15FN2O3/c1-3-9-13(18)16(7-12(17)15-9)10-5-4-8(14)6-11(10)19-2/h4-6,9H,3,7H2,1-2H3,(H,15,17)
InChIKeyHBULUEXTXROTRY-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione (CID 64966592) is 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione is CCC1NC(=O)CN(c2ccc(F)cc2OC)C1=O.
What is the InChIKey of 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione?
The InChIKey is HBULUEXTXROTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-3-9-13(18)16(7-12(17)15-9)10-5-4-8(14)6-11(10)19-2/h4-6,9H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione?
3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione has a molecular weight of 266.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64966592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).