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

C30H31FN2O — CID 10434121

IUPAC1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESFc1ccc(-n2cc(CCCCN3CCC4(CC3)Cc3ccccc3O4)c3ccccc32)cc1
InChIInChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-22-24(27-9-2-3-10-28(27)33)8-5-6-18-32-19-16-30(17-20-32)21-23-7-1-4-11-29(23)34-30/h1-4,7,9-15,22H,5-6,8,16-21H2
InChIKeyUQDQNVDUFYLNNK-UHFFFAOYSA-N
MW454.59 g/mol
LogP6.56
Rot. Bonds6

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

1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 10434121) has the molecular formula C30H31FN2O and a molecular weight of 454.59 g/mol. Its IUPAC name is 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID10434121
Molecular FormulaC30H31FN2O
Molecular Weight454.59 g/mol
Exact Mass454.24
IUPAC Name1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESFc1ccc(-n2cc(CCCCN3CCC4(CC3)Cc3ccccc3O4)c3ccccc32)cc1
InChIInChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-22-24(27-9-2-3-10-28(27)33)8-5-6-18-32-19-16-30(17-20-32)21-23-7-1-4-11-29(23)34-30/h1-4,7,9-15,22H,5-6,8,16-21H2
InChIKeyUQDQNVDUFYLNNK-UHFFFAOYSA-N
XLogP6.56
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

Siramesine
CID 9829526
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
5-fluoro-3-[1-[2-(4-fluoro-2-phenylphenoxy)ethyl]piperidin-4-yl]-1H-indole
CID 155517162
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
(3r,4s)-1-[(2-Methoxyphenyl)methyl]-N,N-Dimethyl-4-(1-Methylindol-3-Yl)pyrrolidin-3-Amine
CID 124037093
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960
Nnc052090
CID 9888030

Frequently Asked Questions

What is the IUPAC name of 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine] (CID 10434121) is 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine] is Fc1ccc(-n2cc(CCCCN3CCC4(CC3)Cc3ccccc3O4)c3ccccc32)cc1.
What is the InChIKey of 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is UQDQNVDUFYLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-22-24(27-9-2-3-10-28(27)33)8-5-6-18-32-19-16-30(17-20-32)21-23-7-1-4-11-29(23)34-30/h1-4,7,9-15,22H,5-6,8,16-21H2.
What are the key properties of 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine]?
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 454.59 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 10434121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).