1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone

C23H26N2O4 — CID 57228249

IUPAC1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cccc(OCCCOC3CNCCN3c3ccccc3)c2o1
InChIInChI=1S/C23H26N2O4/c1-17(26)21-15-18-7-5-10-20(23(18)29-21)27-13-6-14-28-22-16-24-11-12-25(22)19-8-3-2-4-9-19/h2-5,7-10,15,22,24H,6,11-14,16H2,1H3
InChIKeyVNFVVSUDMFWQJK-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.86
Rot. Bonds8

About 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone

1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone (PubChem CID 57228249) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone
PubChem CID57228249
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cccc(OCCCOC3CNCCN3c3ccccc3)c2o1
InChIInChI=1S/C23H26N2O4/c1-17(26)21-15-18-7-5-10-20(23(18)29-21)27-13-6-14-28-22-16-24-11-12-25(22)19-8-3-2-4-9-19/h2-5,7-10,15,22,24H,6,11-14,16H2,1H3
InChIKeyVNFVVSUDMFWQJK-UHFFFAOYSA-N
XLogP3.86
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
CID 175384005
bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13455063
4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid
CID 69063657
bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13393488
3-[3-[(2-acetyl-1-benzofuran-7-yl)oxy]propyl]-7-(4-carboxy-2-methylphenyl)-1H-indole-2-carboxylic acid
CID 68934378
4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one
CID 138996501
1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone
CID 175135237
8-butoxy-2-oxochromene-3-carboxylic acid;hydrochloride
CID 170307373
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide
CID 131918490
(2R)-2-(3-fluorophenoxy)-1-phenylpiperazine
CID 90982921
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 111696335

Frequently Asked Questions

What is the IUPAC name of 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone (CID 57228249) is 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone is CC(=O)c1cc2cccc(OCCCOC3CNCCN3c3ccccc3)c2o1.
What is the InChIKey of 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone?
The InChIKey is VNFVVSUDMFWQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-17(26)21-15-18-7-5-10-20(23(18)29-21)27-13-6-14-28-22-16-24-11-12-25(22)19-8-3-2-4-9-19/h2-5,7-10,15,22,24H,6,11-14,16H2,1H3.
What are the key properties of 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone?
1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone has a molecular weight of 394.47 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[3-(1-phenylpiperazin-2-yl)oxypropoxy]-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 57228249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).