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

C23H23FN2O3 — CID 7178396

IUPAC2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one
SMILESO=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccccc1
InChIInChI=1S/C23H23FN2O3/c24-19-6-8-20(9-7-19)26-12-10-25(11-13-26)15-21-14-22(27)23(17-28-21)29-16-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2
InChIKeyZOZNVKVQKQBGEZ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.68
Rot. Bonds6

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

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one (PubChem CID 7178396) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one
PubChem CID7178396
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one
SMILESO=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccccc1
InChIInChI=1S/C23H23FN2O3/c24-19-6-8-20(9-7-19)26-12-10-25(11-13-26)15-21-14-22(27)23(17-28-21)29-16-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2
InChIKeyZOZNVKVQKQBGEZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one (CID 7178396) is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one is O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccccc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one?
The InChIKey is ZOZNVKVQKQBGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-19-6-8-20(9-7-19)26-12-10-25(11-13-26)15-21-14-22(27)23(17-28-21)29-16-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2.
What are the key properties of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one?
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-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 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenylmethoxypyran-4-one is sourced from PubChem (CID 7178396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).