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

C23H23FN2O3 — CID 7178622

IUPAC5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O3/c24-19-8-6-18(7-9-19)16-29-23-17-28-21(14-22(23)27)15-25-10-12-26(13-11-25)20-4-2-1-3-5-20/h1-9,14,17H,10-13,15-16H2
InChIKeyAVBFRCFHLUMRNG-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.68
Rot. Bonds6

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

5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one (PubChem CID 7178622) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
PubChem CID7178622
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O3/c24-19-8-6-18(7-9-19)16-29-23-17-28-21(14-22(23)27)15-25-10-12-26(13-11-25)20-4-2-1-3-5-20/h1-9,14,17H,10-13,15-16H2
InChIKeyAVBFRCFHLUMRNG-UHFFFAOYSA-N
XLogP3.68
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-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-phenylpiperazin-1-yl)methyl]pyran-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one (CID 7178622) is 5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one is O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The InChIKey is AVBFRCFHLUMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-19-8-6-18(7-9-19)16-29-23-17-28-21(14-22(23)27)15-25-10-12-26(13-11-25)20-4-2-1-3-5-20/h1-9,14,17H,10-13,15-16H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
5-[(4-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one has a molecular weight of 394.45 g/mol, XLogP of 3.68, 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-phenylpiperazin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 7178622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).