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

C23H22F2N2O3 — CID 7178626

IUPAC5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccc(F)cc1
InChIInChI=1S/C23H22F2N2O3/c24-18-3-1-17(2-4-18)15-30-23-16-29-21(13-22(23)28)14-26-9-11-27(12-10-26)20-7-5-19(25)6-8-20/h1-8,13,16H,9-12,14-15H2
InChIKeyRYXWBGGBQFAIBB-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.82
Rot. Bonds6

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

5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one (PubChem CID 7178626) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
PubChem CID7178626
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccc(F)cc1
InChIInChI=1S/C23H22F2N2O3/c24-18-3-1-17(2-4-18)15-30-23-16-29-21(13-22(23)28)14-26-9-11-27(12-10-26)20-7-5-19(25)6-8-20/h1-8,13,16H,9-12,14-15H2
InChIKeyRYXWBGGBQFAIBB-UHFFFAOYSA-N
XLogP3.82
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one (CID 7178626) is 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one is O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one?
The InChIKey is RYXWBGGBQFAIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c24-18-3-1-17(2-4-18)15-30-23-16-29-21(13-22(23)28)14-26-9-11-27(12-10-26)20-7-5-19(25)6-8-20/h1-8,13,16H,9-12,14-15H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one?
5-[(4-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one has a molecular weight of 412.44 g/mol, XLogP of 3.82, 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-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 7178626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).