6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione

C15H19FN2O2 — CID 64960897

IUPAC6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCc1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-3-13-14(19)17-10(2)15(20)18(13)8-7-11-5-4-6-12(16)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyXQZZFISTCVXBAT-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.49
Rot. Bonds4

About 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione

6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 64960897) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID64960897
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCc1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-3-13-14(19)17-10(2)15(20)18(13)8-7-11-5-4-6-12(16)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyXQZZFISTCVXBAT-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-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 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione (CID 64960897) is 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1CCc1cccc(F)c1.
What is the InChIKey of 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is XQZZFISTCVXBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-13-14(19)17-10(2)15(20)18(13)8-7-11-5-4-6-12(16)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,19).
What are the key properties of 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione?
6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64960897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).