4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole

C24H27N3O — CID 57120426

IUPAC4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole
SMILESCc1cccc2c(CCCN3CCN(c4cccc5[nH]ccc45)CC3)coc12
InChIInChI=1S/C24H27N3O/c1-18-5-2-7-20-19(17-28-24(18)20)6-4-12-26-13-15-27(16-14-26)23-9-3-8-22-21(23)10-11-25-22/h2-3,5,7-11,17,25H,4,6,12-16H2,1H3
InChIKeyUFDKVXSCRDYOAN-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.98
Rot. Bonds5

About 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole

4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole (PubChem CID 57120426) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole
PubChem CID57120426
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole
SMILESCc1cccc2c(CCCN3CCN(c4cccc5[nH]ccc45)CC3)coc12
InChIInChI=1S/C24H27N3O/c1-18-5-2-7-20-19(17-28-24(18)20)6-4-12-26-13-15-27(16-14-26)23-9-3-8-22-21(23)10-11-25-22/h2-3,5,7-11,17,25H,4,6,12-16H2,1H3
InChIKeyUFDKVXSCRDYOAN-UHFFFAOYSA-N
XLogP4.98
TPSA35.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole (CID 57120426) is 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole is Cc1cccc2c(CCCN3CCN(c4cccc5[nH]ccc45)CC3)coc12.
What is the InChIKey of 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole?
The InChIKey is UFDKVXSCRDYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-5-2-7-20-19(17-28-24(18)20)6-4-12-26-13-15-27(16-14-26)23-9-3-8-22-21(23)10-11-25-22/h2-3,5,7-11,17,25H,4,6,12-16H2,1H3.
What are the key properties of 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole?
4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole has a molecular weight of 373.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 57120426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).