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

C23H22F2N2O3 — CID 7178612

IUPAC5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1cccc(F)c1
InChIInChI=1S/C23H22F2N2O3/c24-18-4-6-20(7-5-18)27-10-8-26(9-11-27)14-21-13-22(28)23(16-29-21)30-15-17-2-1-3-19(25)12-17/h1-7,12-13,16H,8-11,14-15H2
InChIKeyOIOIBIQESNRXQO-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.82
Rot. Bonds6

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

5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one (PubChem CID 7178612) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
PubChem CID7178612
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1cccc(F)c1
InChIInChI=1S/C23H22F2N2O3/c24-18-4-6-20(7-5-18)27-10-8-26(9-11-27)14-21-13-22(28)23(16-29-21)30-15-17-2-1-3-19(25)12-17/h1-7,12-13,16H,8-11,14-15H2
InChIKeyOIOIBIQESNRXQO-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-[(3-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-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one (CID 7178612) is 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one is O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one?
The InChIKey is OIOIBIQESNRXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c24-18-4-6-20(7-5-18)27-10-8-26(9-11-27)14-21-13-22(28)23(16-29-21)30-15-17-2-1-3-19(25)12-17/h1-7,12-13,16H,8-11,14-15H2.
What are the key properties of 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one?
5-[(3-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-[(3-fluorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 7178612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).