1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]

C24H28N2O — CID 171343519

IUPAC1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCN(CCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C24H28N2O/c1-3-9-22-21(8-1)19-27-24(22)12-17-25(18-13-24)14-5-6-15-26-16-11-20-7-2-4-10-23(20)26/h1-4,7-11,16H,5-6,12-15,17-19H2
InChIKeyILTBESPLAHRSLM-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.94
Rot. Bonds5

About 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]

1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 171343519) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID171343519
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCN(CCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C24H28N2O/c1-3-9-22-21(8-1)19-27-24(22)12-17-25(18-13-24)14-5-6-15-26-16-11-20-7-2-4-10-23(20)26/h1-4,7-11,16H,5-6,12-15,17-19H2
InChIKeyILTBESPLAHRSLM-UHFFFAOYSA-N
XLogP4.94
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 171343519) is 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc2c(c1)COC21CCN(CCCCn2ccc3ccccc32)CC1.
What is the InChIKey of 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is ILTBESPLAHRSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-3-9-22-21(8-1)19-27-24(22)12-17-25(18-13-24)14-5-6-15-26-16-11-20-7-2-4-10-23(20)26/h1-4,7-11,16H,5-6,12-15,17-19H2.
What are the key properties of 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 360.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-indol-1-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 171343519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).