1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione

C14H17FN2O2 — CID 64875282

IUPAC1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9-12(18)17(14(2,3)13(19)16-9)8-10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyVPFQUQUNAFHICE-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.45
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione

1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione (PubChem CID 64875282) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
PubChem CID64875282
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9-12(18)17(14(2,3)13(19)16-9)8-10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyVPFQUQUNAFHICE-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione (CID 64875282) is 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione is CC1NC(=O)C(C)(C)N(Cc2ccccc2F)C1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione?
The InChIKey is VPFQUQUNAFHICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9-12(18)17(14(2,3)13(19)16-9)8-10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H,16,19).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione?
1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64875282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).