3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione

C11H11FN2O2 — CID 45496525

IUPAC3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione
SMILESCN1CC(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H11FN2O2/c1-14-6-9(15)13-10(11(14)16)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3,(H,13,15)
InChIKeyNGMKEZKBVVTLFD-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.46
Rot. Bonds1

About 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione

3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione (PubChem CID 45496525) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione
PubChem CID45496525
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione
SMILESCN1CC(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H11FN2O2/c1-14-6-9(15)13-10(11(14)16)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3,(H,13,15)
InChIKeyNGMKEZKBVVTLFD-UHFFFAOYSA-N
XLogP0.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione (CID 45496525) is 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione is CN1CC(=O)NC(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione?
The InChIKey is NGMKEZKBVVTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-14-6-9(15)13-10(11(14)16)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3,(H,13,15).
What are the key properties of 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione?
3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione has a molecular weight of 222.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 45496525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).