1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone

C22H24N2O3 — CID 2467896

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3coc4cc(C)ccc34)CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-16-3-8-20-17(15-27-21(20)13-16)14-22(25)24-11-9-23(10-12-24)18-4-6-19(26-2)7-5-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyVTGLQLHIOSPQAQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.64
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone (PubChem CID 2467896) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
PubChem CID2467896
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3coc4cc(C)ccc34)CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-16-3-8-20-17(15-27-21(20)13-16)14-22(25)24-11-9-23(10-12-24)18-4-6-19(26-2)7-5-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyVTGLQLHIOSPQAQ-UHFFFAOYSA-N
XLogP3.64
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone (CID 2467896) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone is COc1ccc(N2CCN(C(=O)Cc3coc4cc(C)ccc34)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone?
The InChIKey is VTGLQLHIOSPQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-3-8-20-17(15-27-21(20)13-16)14-22(25)24-11-9-23(10-12-24)18-4-6-19(26-2)7-5-18/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 2467896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).