1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione

C14H16ClFN2O2 — CID 64965262

IUPAC1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C14H16ClFN2O2/c1-3-10-14(20)18(11(4-2)13(19)17-10)12-6-5-8(15)7-9(12)16/h5-7,10-11H,3-4H2,1-2H3,(H,17,19)
InChIKeyOOWKOOILWQPEOP-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione

1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione (PubChem CID 64965262) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
PubChem CID64965262
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C14H16ClFN2O2/c1-3-10-14(20)18(11(4-2)13(19)17-10)12-6-5-8(15)7-9(12)16/h5-7,10-11H,3-4H2,1-2H3,(H,17,19)
InChIKeyOOWKOOILWQPEOP-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-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 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione (CID 64965262) is 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2ccc(Cl)cc2F)C1=O.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The InChIKey is OOWKOOILWQPEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-3-10-14(20)18(11(4-2)13(19)17-10)12-6-5-8(15)7-9(12)16/h5-7,10-11H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione has a molecular weight of 298.75 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64965262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).