1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione

C13H14F2N2O2 — CID 64957775

IUPAC1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-3-11-13(19)17(7(2)12(18)16-11)8-4-5-9(14)10(15)6-8/h4-7,11H,3H2,1-2H3,(H,16,18)
InChIKeyMCCYTBYMXZTKTC-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.59
Rot. Bonds2

About 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione

1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64957775) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64957775
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-3-11-13(19)17(7(2)12(18)16-11)8-4-5-9(14)10(15)6-8/h4-7,11H,3H2,1-2H3,(H,16,18)
InChIKeyMCCYTBYMXZTKTC-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-fluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107370923
3-ethyl-6-methyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962189
1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64956453
3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64957876
1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 114840981
3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64955852
1-(1-benzothiophen-5-yl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 65451321
1-(3-ethoxyphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64966817
1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64962986
1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64961796
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107608196
3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840985

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione (CID 64957775) is 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is MCCYTBYMXZTKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-3-11-13(19)17(7(2)12(18)16-11)8-4-5-9(14)10(15)6-8/h4-7,11H,3H2,1-2H3,(H,16,18).
What are the key properties of 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64957775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).