1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone

C19H18FN3O2 — CID 71601992

IUPAC1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(F)cn2)CC1)c1coc2ccccc12
InChIInChI=1S/C19H18FN3O2/c20-14-5-6-19(21-11-14)23-9-7-22(8-10-23)12-17(24)16-13-25-18-4-2-1-3-15(16)18/h1-6,11,13H,7-10,12H2
InChIKeyIJEADCAIHLCHII-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.97
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone

1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 71601992) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID71601992
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(F)cn2)CC1)c1coc2ccccc12
InChIInChI=1S/C19H18FN3O2/c20-14-5-6-19(21-11-14)23-9-7-22(8-10-23)12-17(24)16-13-25-18-4-2-1-3-15(16)18/h1-6,11,13H,7-10,12H2
InChIKeyIJEADCAIHLCHII-UHFFFAOYSA-N
XLogP2.97
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone (CID 71601992) is 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(F)cn2)CC1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is IJEADCAIHLCHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-5-6-19(21-11-14)23-9-7-22(8-10-23)12-17(24)16-13-25-18-4-2-1-3-15(16)18/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone?
1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 339.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71601992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).