(5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone

C22H24N2O3 — CID 986600

IUPAC(5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccc2oc(-c3ccccc3)c(C(=O)N3CCN(C)CC3)c2c1
InChIInChI=1S/C22H24N2O3/c1-3-26-17-9-10-19-18(15-17)20(21(27-19)16-7-5-4-6-8-16)22(25)24-13-11-23(2)12-14-24/h4-10,15H,3,11-14H2,1-2H3
InChIKeyLFKQPLWLQJISDW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.89
Rot. Bonds4

About (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone

(5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 986600) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID986600
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccc2oc(-c3ccccc3)c(C(=O)N3CCN(C)CC3)c2c1
InChIInChI=1S/C22H24N2O3/c1-3-26-17-9-10-19-18(15-17)20(21(27-19)16-7-5-4-6-8-16)22(25)24-13-11-23(2)12-14-24/h4-10,15H,3,11-14H2,1-2H3
InChIKeyLFKQPLWLQJISDW-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 986600) is (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone is CCOc1ccc2oc(-c3ccccc3)c(C(=O)N3CCN(C)CC3)c2c1.
What is the InChIKey of (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LFKQPLWLQJISDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-26-17-9-10-19-18(15-17)20(21(27-19)16-7-5-4-6-8-16)22(25)24-13-11-23(2)12-14-24/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone?
(5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-2-phenyl-1-benzofuran-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 986600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).