4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole

C23H25N3O — CID 22462281

IUPAC4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole
SMILESCc1ccc2occ(CCN3CCN(c4cccc5[nH]ccc45)CC3)c2c1
InChIInChI=1S/C23H25N3O/c1-17-5-6-23-20(15-17)18(16-27-23)8-10-25-11-13-26(14-12-25)22-4-2-3-21-19(22)7-9-24-21/h2-7,9,15-16,24H,8,10-14H2,1H3
InChIKeyGOWWAPOSJWQAGR-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.59
Rot. Bonds4

About 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole

4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole (PubChem CID 22462281) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole
PubChem CID22462281
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole
SMILESCc1ccc2occ(CCN3CCN(c4cccc5[nH]ccc45)CC3)c2c1
InChIInChI=1S/C23H25N3O/c1-17-5-6-23-20(15-17)18(16-27-23)8-10-25-11-13-26(14-12-25)22-4-2-3-21-19(22)7-9-24-21/h2-7,9,15-16,24H,8,10-14H2,1H3
InChIKeyGOWWAPOSJWQAGR-UHFFFAOYSA-N
XLogP4.59
TPSA35.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole (CID 22462281) is 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole is Cc1ccc2occ(CCN3CCN(c4cccc5[nH]ccc45)CC3)c2c1.
What is the InChIKey of 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole?
The InChIKey is GOWWAPOSJWQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-5-6-23-20(15-17)18(16-27-23)8-10-25-11-13-26(14-12-25)22-4-2-3-21-19(22)7-9-24-21/h2-7,9,15-16,24H,8,10-14H2,1H3.
What are the key properties of 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole?
4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole has a molecular weight of 359.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 22462281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).