1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H17FN2O2 — CID 2575317

IUPAC1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN2O2/c20-15-5-7-16(8-6-15)21-9-11-22(12-10-21)19(23)18-13-14-3-1-2-4-17(14)24-18/h1-8,13H,9-12H2
InChIKeyAUFKNABLESSJAK-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.53
Rot. Bonds2

About 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2575317) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2575317
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN2O2/c20-15-5-7-16(8-6-15)21-9-11-22(12-10-21)19(23)18-13-14-3-1-2-4-17(14)24-18/h1-8,13H,9-12H2
InChIKeyAUFKNABLESSJAK-UHFFFAOYSA-N
XLogP3.53
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
CID 9081959
1-benzofuran-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2889798
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 6497049
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355631
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 8718398
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2575317) is 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is AUFKNABLESSJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-15-5-7-16(8-6-15)21-9-11-22(12-10-21)19(23)18-13-14-3-1-2-4-17(14)24-18/h1-8,13H,9-12H2.
What are the key properties of 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 324.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2575317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).