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

C13H15FN2O2 — CID 64958384

IUPAC3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccc(C)c(F)c2)C1=O
InChIInChI=1S/C13H15FN2O2/c1-3-11-13(18)16(7-12(17)15-11)9-5-4-8(2)10(14)6-9/h4-6,11H,3,7H2,1-2H3,(H,15,17)
InChIKeyUAWOKDFJFIPYRC-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.38
Rot. Bonds2

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

3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione (PubChem CID 64958384) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
PubChem CID64958384
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccc(C)c(F)c2)C1=O
InChIInChI=1S/C13H15FN2O2/c1-3-11-13(18)16(7-12(17)15-11)9-5-4-8(2)10(14)6-9/h4-6,11H,3,7H2,1-2H3,(H,15,17)
InChIKeyUAWOKDFJFIPYRC-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione
CID 64957687
1-(1,3-benzodioxol-5-yl)-3-ethylpiperazine-2,5-dione
CID 64959422
3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64957876
3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956470
1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64955361
1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
CID 115379421
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64970831
3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
CID 64966592
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 114840984
3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
CID 64969701

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione (CID 64958384) is 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione is CCC1NC(=O)CN(c2ccc(C)c(F)c2)C1=O.
What is the InChIKey of 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione?
The InChIKey is UAWOKDFJFIPYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-11-13(18)16(7-12(17)15-11)9-5-4-8(2)10(14)6-9/h4-6,11H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione?
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione has a molecular weight of 250.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64958384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).