5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one

C24H19F5N2O4 — CID 46083988

IUPAC5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one
SMILESO=C(c1c(F)c(F)cc(F)c1F)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1
InChIInChI=1S/C24H19F5N2O4/c25-15-3-1-14(2-4-15)12-35-20-13-34-16(9-19(20)32)11-30-5-7-31(8-6-30)24(33)21-22(28)17(26)10-18(27)23(21)29/h1-4,9-10,13H,5-8,11-12H2
InChIKeyGYRBYWGLBYHSLD-UHFFFAOYSA-N
MW494.42 g/mol
LogP3.87
Rot. Bonds6

About 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one

5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one (PubChem CID 46083988) has the molecular formula C24H19F5N2O4 and a molecular weight of 494.42 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one
PubChem CID46083988
Molecular FormulaC24H19F5N2O4
Molecular Weight494.42 g/mol
Exact Mass494.13
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one
SMILESO=C(c1c(F)c(F)cc(F)c1F)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1
InChIInChI=1S/C24H19F5N2O4/c25-15-3-1-14(2-4-15)12-35-20-13-34-16(9-19(20)32)11-30-5-7-31(8-6-30)24(33)21-22(28)17(26)10-18(27)23(21)29/h1-4,9-10,13H,5-8,11-12H2
InChIKeyGYRBYWGLBYHSLD-UHFFFAOYSA-N
XLogP3.87
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one (CID 46083988) is 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one is O=C(c1c(F)c(F)cc(F)c1F)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one?
The InChIKey is GYRBYWGLBYHSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N2O4/c25-15-3-1-14(2-4-15)12-35-20-13-34-16(9-19(20)32)11-30-5-7-31(8-6-30)24(33)21-22(28)17(26)10-18(27)23(21)29/h1-4,9-10,13H,5-8,11-12H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one?
5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one has a molecular weight of 494.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-[[4-(2,3,5,6-tetrafluorobenzoyl)piperazin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 46083988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).