1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone

C29H30N2O4 — CID 24736156

IUPAC1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(Cc3cc4cc(-c5ccccc5OC)ccc4o3)CC2)cc1
InChIInChI=1S/C29H30N2O4/c1-33-24-10-7-21(8-11-24)27(32)20-31-15-13-30(14-16-31)19-25-18-23-17-22(9-12-28(23)35-25)26-5-3-4-6-29(26)34-2/h3-12,17-18H,13-16,19-20H2,1-2H3
InChIKeyICELWVCWANRQQU-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.12
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone

1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 24736156) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID24736156
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(Cc3cc4cc(-c5ccccc5OC)ccc4o3)CC2)cc1
InChIInChI=1S/C29H30N2O4/c1-33-24-10-7-21(8-11-24)27(32)20-31-15-13-30(14-16-31)19-25-18-23-17-22(9-12-28(23)35-25)26-5-3-4-6-29(26)34-2/h3-12,17-18H,13-16,19-20H2,1-2H3
InChIKeyICELWVCWANRQQU-UHFFFAOYSA-N
XLogP5.12
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
CID 24736139
1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736162
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 24737245
ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 24736149
4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 24736160
1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736116
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 24736188
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
1-[(4-methoxyphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine;hydrochloride
CID 24736258
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone (CID 24736156) is 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone is COc1ccc(C(=O)CN2CCN(Cc3cc4cc(-c5ccccc5OC)ccc4o3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is ICELWVCWANRQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-33-24-10-7-21(8-11-24)27(32)20-31-15-13-30(14-16-31)19-25-18-23-17-22(9-12-28(23)35-25)26-5-3-4-6-29(26)34-2/h3-12,17-18H,13-16,19-20H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone?
1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 470.57 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24736156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).