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

C14H16ClFN2O2 — CID 64962986

IUPAC1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C14H16ClFN2O2/c1-3-11-14(20)18(12(4-2)13(19)17-11)8-5-6-10(16)9(15)7-8/h5-7,11-12H,3-4H2,1-2H3,(H,17,19)
InChIKeyZCEASRLOURREKI-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.50
Rot. Bonds3

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

1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione (PubChem CID 64962986) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
PubChem CID64962986
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C14H16ClFN2O2/c1-3-11-14(20)18(12(4-2)13(19)17-11)8-5-6-10(16)9(15)7-8/h5-7,11-12H,3-4H2,1-2H3,(H,17,19)
InChIKeyZCEASRLOURREKI-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

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Related Compounds

3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64957876
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962224
1-(5-chloro-2-methylphenyl)-3,6-diethylpiperazine-2,5-dione
CID 64961428
1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64957775
1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64964838
1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
CID 64960932
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506
1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961652
1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 107617399
1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64963355
1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64961750

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione (CID 64962986) is 1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
The InChIKey is ZCEASRLOURREKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-3-11-14(20)18(12(4-2)13(19)17-11)8-5-6-10(16)9(15)7-8/h5-7,11-12H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione?
1-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64962986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).