1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone

C28H28N2O3 — CID 18860274

IUPAC1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2occ(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1
InChIInChI=1S/C28H28N2O3/c1-32-24-12-13-26-25(19-24)23(20-33-26)18-27(31)29-14-16-30(17-15-29)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,19-20,28H,14-18H2,1H3
InChIKeyKMRQYHJMSMIBAD-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.92
Rot. Bonds6

About 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone

1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone (PubChem CID 18860274) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone
PubChem CID18860274
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2occ(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1
InChIInChI=1S/C28H28N2O3/c1-32-24-12-13-26-25(19-24)23(20-33-26)18-27(31)29-14-16-30(17-15-29)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,19-20,28H,14-18H2,1H3
InChIKeyKMRQYHJMSMIBAD-UHFFFAOYSA-N
XLogP4.92
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone with MolForge

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Related Compounds

2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860278
tert-butyl 4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 34019092
4-hydroxy-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251257
2-(5-fluoro-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860190
N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 167531222
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
CID 18860467
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 7922202
2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone
CID 9467205
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone (CID 18860274) is 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone is COc1ccc2occ(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone?
The InChIKey is KMRQYHJMSMIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-32-24-12-13-26-25(19-24)23(20-33-26)18-27(31)29-14-16-30(17-15-29)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,19-20,28H,14-18H2,1H3.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone?
1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone has a molecular weight of 440.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 18860274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).