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

C14H17FN2O2 — CID 64958983

IUPAC1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCc1ccc(F)cc1N1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C14H17FN2O2/c1-8-5-6-10(15)7-11(8)17-9(2)12(18)16-14(3,4)13(17)19/h5-7,9H,1-4H3,(H,16,18)
InChIKeyXWUXNPHEOPXBBU-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.76
Rot. Bonds1

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

1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 64958983) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID64958983
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCc1ccc(F)cc1N1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C14H17FN2O2/c1-8-5-6-10(15)7-11(8)17-9(2)12(18)16-14(3,4)13(17)19/h5-7,9H,1-4H3,(H,16,18)
InChIKeyXWUXNPHEOPXBBU-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione (CID 64958983) is 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione is Cc1ccc(F)cc1N1C(=O)C(C)(C)NC(=O)C1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is XWUXNPHEOPXBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8-5-6-10(15)7-11(8)17-9(2)12(18)16-14(3,4)13(17)19/h5-7,9H,1-4H3,(H,16,18).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64958983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).