3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione

C14H17FN2O2 — CID 64955381

IUPAC3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-4-14(3)13(19)17(9(2)12(18)16-14)11-7-5-6-10(15)8-11/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyUGXUPVUBBAFEIM-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.85
Rot. Bonds2

About 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione

3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64955381) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID64955381
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-4-14(3)13(19)17(9(2)12(18)16-14)11-7-5-6-10(15)8-11/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyUGXUPVUBBAFEIM-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107580227
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956245
3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962248
1-(2-bromo-5-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107640312
3-ethyl-1-(4-fluoro-2-iodophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 79771236
1-(2-chloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64961505
1-(4-bromo-2-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962263
1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955932
1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958952
1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 82860800
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962329
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107608176

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione (CID 64955381) is 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(c2cccc(F)c2)C1=O.
What is the InChIKey of 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is UGXUPVUBBAFEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-4-14(3)13(19)17(9(2)12(18)16-14)11-7-5-6-10(15)8-11/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione?
3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.85, 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-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64955381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).