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

C23H23FN2O3 — CID 7178642

IUPAC5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccccc1F
InChIInChI=1S/C23H23FN2O3/c24-21-9-5-4-6-18(21)16-29-23-17-28-20(14-22(23)27)15-25-10-12-26(13-11-25)19-7-2-1-3-8-19/h1-9,14,17H,10-13,15-16H2
InChIKeyUSNSINWKJCMGBQ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.68
Rot. Bonds6

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

5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one (PubChem CID 7178642) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
PubChem CID7178642
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccccc1F
InChIInChI=1S/C23H23FN2O3/c24-21-9-5-4-6-18(21)16-29-23-17-28-20(14-22(23)27)15-25-10-12-26(13-11-25)19-7-2-1-3-8-19/h1-9,14,17H,10-13,15-16H2
InChIKeyUSNSINWKJCMGBQ-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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Related Compounds

5-[(2-fluorophenyl)methoxy]-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
CID 7178644
5-[(4-chlorophenyl)methoxy]-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16810514
5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
CID 16803012
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7178427
5-[(2,5-dimethylphenyl)methoxy]-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16802996
N-(2,3-dimethylphenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 16802988
N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 18575688
2-[6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N,N-di(propan-2-yl)acetamide
CID 18575721
5-[(4-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803006
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[2-(4-methoxyphenyl)-2-oxoethoxy]pyran-4-one
CID 44898221
(2R)-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyhexanoic acid
CID 7178499
5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide
CID 86206858

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one (CID 7178642) is 5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one is O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The InChIKey is USNSINWKJCMGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-21-9-5-4-6-18(21)16-29-23-17-28-20(14-22(23)27)15-25-10-12-26(13-11-25)19-7-2-1-3-8-19/h1-9,14,17H,10-13,15-16H2.
What are the key properties of 5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
5-[(2-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-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 7178642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).