3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione

C14H16F2N2O2 — CID 64960024

IUPAC3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-3-8(2)12-14(20)18(7-11(19)17-12)13-9(15)5-4-6-10(13)16/h4-6,8,12H,3,7H2,1-2H3,(H,17,19)
InChIKeyZCGDORRNESILCF-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.84
Rot. Bonds3

About 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione

3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione (PubChem CID 64960024) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione
PubChem CID64960024
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-3-8(2)12-14(20)18(7-11(19)17-12)13-9(15)5-4-6-10(13)16/h4-6,8,12H,3,7H2,1-2H3,(H,17,19)
InChIKeyZCGDORRNESILCF-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959883
3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione
CID 64959213
3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64966056
3-butan-2-yl-1-(2-chlorophenyl)piperazine-2,5-dione
CID 64962602
3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840990
3-butan-2-yl-1-(2-chloro-5-fluorophenyl)piperazine-2,5-dione
CID 107531624
3-butan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
CID 66355639
3-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64878994
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64959895
3-butan-2-yl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960454
1-(4-bromo-3,5-dimethylphenyl)-3-butan-2-ylpiperazine-2,5-dione
CID 107580171

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione (CID 64960024) is 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione is CCC(C)C1NC(=O)CN(c2c(F)cccc2F)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione?
The InChIKey is ZCGDORRNESILCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-3-8(2)12-14(20)18(7-11(19)17-12)13-9(15)5-4-6-10(13)16/h4-6,8,12H,3,7H2,1-2H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione?
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione has a molecular weight of 282.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 64960024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).