1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione

C13H15FN2O2 — CID 64959980

IUPAC1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCc1ccc(N2C(=O)C(C)NC(=O)C2C)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-7-4-5-11(10(14)6-7)16-9(3)12(17)15-8(2)13(16)18/h4-6,8-9H,1-3H3,(H,15,17)
InChIKeyDCFYOUSDPYAAAI-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.37
Rot. Bonds1

About 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione

1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64959980) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID64959980
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCc1ccc(N2C(=O)C(C)NC(=O)C2C)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-7-4-5-11(10(14)6-7)16-9(3)12(17)15-8(2)13(16)18/h4-6,8-9H,1-3H3,(H,15,17)
InChIKeyDCFYOUSDPYAAAI-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione (CID 64959980) is 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione is Cc1ccc(N2C(=O)C(C)NC(=O)C2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is DCFYOUSDPYAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-7-4-5-11(10(14)6-7)16-9(3)12(17)15-8(2)13(16)18/h4-6,8-9H,1-3H3,(H,15,17).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione?
1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 250.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64959980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).