1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone

C24H25N3O3 — CID 90683523

IUPAC1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
SMILESCc1cc2cc(OCCN3CCN(C(=O)c4cc5ccccc5o4)CC3)ccc2[nH]1
InChIInChI=1S/C24H25N3O3/c1-17-14-19-15-20(6-7-21(19)25-17)29-13-12-26-8-10-27(11-9-26)24(28)23-16-18-4-2-3-5-22(18)30-23/h2-7,14-16,25H,8-13H2,1H3
InChIKeyQJOFGVGQFQXWKW-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.06
Rot. Bonds5

About 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone (PubChem CID 90683523) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
PubChem CID90683523
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
SMILESCc1cc2cc(OCCN3CCN(C(=O)c4cc5ccccc5o4)CC3)ccc2[nH]1
InChIInChI=1S/C24H25N3O3/c1-17-14-19-15-20(6-7-21(19)25-17)29-13-12-26-8-10-27(11-9-26)24(28)23-16-18-4-2-3-5-22(18)30-23/h2-7,14-16,25H,8-13H2,1H3
InChIKeyQJOFGVGQFQXWKW-UHFFFAOYSA-N
XLogP4.06
TPSA61.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529
(1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
CID 90683531
(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone
CID 86885930
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
1-benzofuran-2-yl-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 63394374
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 159741679
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone (CID 90683523) is 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone is Cc1cc2cc(OCCN3CCN(C(=O)c4cc5ccccc5o4)CC3)ccc2[nH]1.
What is the InChIKey of 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone?
The InChIKey is QJOFGVGQFQXWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-14-19-15-20(6-7-21(19)25-17)29-13-12-26-8-10-27(11-9-26)24(28)23-16-18-4-2-3-5-22(18)30-23/h2-7,14-16,25H,8-13H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90683523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).