3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione

C15H19FN2O2 — CID 64959864

IUPAC3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(F)c(N2CC(=O)NC(C(C)(C)C)C2=O)c1
InChIInChI=1S/C15H19FN2O2/c1-9-5-6-10(16)11(7-9)18-8-12(19)17-13(14(18)20)15(2,3)4/h5-7,13H,8H2,1-4H3,(H,17,19)
InChIKeyIHMARHDYJWDHHE-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.01
Rot. Bonds1

About 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione

3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione (PubChem CID 64959864) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione
PubChem CID64959864
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(F)c(N2CC(=O)NC(C(C)(C)C)C2=O)c1
InChIInChI=1S/C15H19FN2O2/c1-9-5-6-10(16)11(7-9)18-8-12(19)17-13(14(18)20)15(2,3)4/h5-7,13H,8H2,1-4H3,(H,17,19)
InChIKeyIHMARHDYJWDHHE-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione (CID 64959864) is 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione is Cc1ccc(F)c(N2CC(=O)NC(C(C)(C)C)C2=O)c1.
What is the InChIKey of 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione?
The InChIKey is IHMARHDYJWDHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9-5-6-10(16)11(7-9)18-8-12(19)17-13(14(18)20)15(2,3)4/h5-7,13H,8H2,1-4H3,(H,17,19).
What are the key properties of 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione?
3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64959864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).