3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione

C15H19FN2O3 — CID 114840985

IUPAC3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(F)c(OC)c2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-4-11-15(20)18(12(5-2)14(19)17-11)9-6-7-10(16)13(8-9)21-3/h6-8,11-12H,4-5H2,1-3H3,(H,17,19)
InChIKeyWFRMVFRFQCGWGD-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.85
Rot. Bonds4

About 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione

3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione (PubChem CID 114840985) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
PubChem CID114840985
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(F)c(OC)c2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-4-11-15(20)18(12(5-2)14(19)17-11)9-6-7-10(16)13(8-9)21-3/h6-8,11-12H,4-5H2,1-3H3,(H,17,19)
InChIKeyWFRMVFRFQCGWGD-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione (CID 114840985) is 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2ccc(F)c(OC)c2)C1=O.
What is the InChIKey of 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione?
The InChIKey is WFRMVFRFQCGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-4-11-15(20)18(12(5-2)14(19)17-11)9-6-7-10(16)13(8-9)21-3/h6-8,11-12H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione?
3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 114840985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).