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

C25H30N2O — CID 10362072

IUPAC1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCn1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21
InChIInChI=1S/C25H30N2O/c1-26-18-20(22-10-3-5-12-24(22)26)8-6-7-15-27-16-13-25(14-17-27)23-11-4-2-9-21(23)19-28-25/h2-5,9-12,18H,6-8,13-17,19H2,1H3
InChIKeyVXIOVDAUIYLNSV-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.02
Rot. Bonds5

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

1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10362072) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10362072
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCn1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21
InChIInChI=1S/C25H30N2O/c1-26-18-20(22-10-3-5-12-24(22)26)8-6-7-15-27-16-13-25(14-17-27)23-11-4-2-9-21(23)19-28-25/h2-5,9-12,18H,6-8,13-17,19H2,1H3
InChIKeyVXIOVDAUIYLNSV-UHFFFAOYSA-N
XLogP5.02
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.02
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-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10362072) is 1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Cn1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21.
What is the InChIKey of 1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is VXIOVDAUIYLNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-26-18-20(22-10-3-5-12-24(22)26)8-6-7-15-27-16-13-25(14-17-27)23-11-4-2-9-21(23)19-28-25/h2-5,9-12,18H,6-8,13-17,19H2,1H3.
What are the key properties of 1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 374.53 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(1-methylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10362072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).