2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide

C24H24FN3O4 — CID 18575662

IUPAC2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)Nc1ccccc1
InChIInChI=1S/C24H24FN3O4/c25-20-8-4-5-9-21(20)28-12-10-27(11-13-28)15-19-14-22(29)23(16-31-19)32-17-24(30)26-18-6-2-1-3-7-18/h1-9,14,16H,10-13,15,17H2,(H,26,30)
InChIKeyOPBAXCZTTMINBP-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.12
Rot. Bonds7

About 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide

2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide (PubChem CID 18575662) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
PubChem CID18575662
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)Nc1ccccc1
InChIInChI=1S/C24H24FN3O4/c25-20-8-4-5-9-21(20)28-12-10-27(11-13-28)15-19-14-22(29)23(16-31-19)32-17-24(30)26-18-6-2-1-3-7-18/h1-9,14,16H,10-13,15,17H2,(H,26,30)
InChIKeyOPBAXCZTTMINBP-UHFFFAOYSA-N
XLogP3.12
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The IUPAC name of 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide (CID 18575662) is 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The canonical SMILES for 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide is O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)Nc1ccccc1.
What is the InChIKey of 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The InChIKey is OPBAXCZTTMINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c25-20-8-4-5-9-21(20)28-12-10-27(11-13-28)15-19-14-22(29)23(16-31-19)32-17-24(30)26-18-6-2-1-3-7-18/h1-9,14,16H,10-13,15,17H2,(H,26,30).
What are the key properties of 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide has a molecular weight of 437.47 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 18575662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).