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

C24H28N2O — CID 10473699

IUPAC1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCN(CCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H28N2O/c1-3-10-22-20(8-1)18-27-24(22)12-15-26(16-13-24)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-11,17,25H,5-7,12-16,18H2
InChIKeyGOIYUNROIAKNAE-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.01
Rot. Bonds5

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

1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10473699) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10473699
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCN(CCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H28N2O/c1-3-10-22-20(8-1)18-27-24(22)12-15-26(16-13-24)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-11,17,25H,5-7,12-16,18H2
InChIKeyGOIYUNROIAKNAE-UHFFFAOYSA-N
XLogP5.01
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10473699) is 1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc2c(c1)COC21CCN(CCCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is GOIYUNROIAKNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-3-10-22-20(8-1)18-27-24(22)12-15-26(16-13-24)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-11,17,25H,5-7,12-16,18H2.
What are the key properties of 1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 360.50 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10473699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).