(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C21H21FN2O3 — CID 986576

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1
InChIInChI=1S/C21H21FN2O3/c1-14-16-13-15(22)7-8-18(16)27-20(14)21(25)24-11-9-23(10-12-24)17-5-3-4-6-19(17)26-2/h3-8,13H,9-12H2,1-2H3
InChIKeyVMYDLHLBASQURR-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.85
Rot. Bonds3

About (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 986576) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID986576
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1
InChIInChI=1S/C21H21FN2O3/c1-14-16-13-15(22)7-8-18(16)27-20(14)21(25)24-11-9-23(10-12-24)17-5-3-4-6-19(17)26-2/h3-8,13H,9-12H2,1-2H3
InChIKeyVMYDLHLBASQURR-UHFFFAOYSA-N
XLogP3.85
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 986576) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VMYDLHLBASQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14-16-13-15(22)7-8-18(16)27-20(14)21(25)24-11-9-23(10-12-24)17-5-3-4-6-19(17)26-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 986576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).