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

C15H19FN2O2 — CID 64957876

IUPAC3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(C)c(F)c2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-4-12-15(20)18(13(5-2)14(19)17-12)10-7-6-9(3)11(16)8-10/h6-8,12-13H,4-5H2,1-3H3,(H,17,19)
InChIKeyCWKMRQYAULVFGO-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.15
Rot. Bonds3

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

3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione (PubChem CID 64957876) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
PubChem CID64957876
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(C)c(F)c2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-4-12-15(20)18(13(5-2)14(19)17-12)10-7-6-9(3)11(16)8-10/h6-8,12-13H,4-5H2,1-3H3,(H,17,19)
InChIKeyCWKMRQYAULVFGO-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64962986
6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64958396
3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840985
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-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
CID 64960932
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961652
1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64964838

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione (CID 64957876) is 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2ccc(C)c(F)c2)C1=O.
What is the InChIKey of 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione?
The InChIKey is CWKMRQYAULVFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-12-15(20)18(13(5-2)14(19)17-12)10-7-6-9(3)11(16)8-10/h6-8,12-13H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione?
3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64957876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).