4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one

C22H23FN2O2 — CID 10316830

IUPAC4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)21(26)5-2-11-24-12-14-25(15-13-24)20-4-1-3-18-10-16-27-22(18)20/h1,3-4,6-10,16H,2,5,11-15H2
InChIKeyHUACSDTUNPSEBC-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.36
Rot. Bonds6

About 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one

4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 10316830) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID10316830
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)21(26)5-2-11-24-12-14-25(15-13-24)20-4-1-3-18-10-16-27-22(18)20/h1,3-4,6-10,16H,2,5,11-15H2
InChIKeyHUACSDTUNPSEBC-UHFFFAOYSA-N
XLogP4.36
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one (CID 10316830) is 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one is O=C(CCCN1CCN(c2cccc3ccoc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is HUACSDTUNPSEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)21(26)5-2-11-24-12-14-25(15-13-24)20-4-1-3-18-10-16-27-22(18)20/h1,3-4,6-10,16H,2,5,11-15H2.
What are the key properties of 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one?
4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 366.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 10316830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).