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

C29H29FN2O — CID 10140458

IUPAC1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(-n2cc(CCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
InChIInChI=1S/C29H29FN2O/c30-24-11-13-25(14-12-24)32-20-22(26-8-2-4-10-28(26)32)7-5-17-31-18-15-29(16-19-31)27-9-3-1-6-23(27)21-33-29/h1-4,6,8-14,20H,5,7,15-19,21H2
InChIKeyCQQLHMFPHISTLM-UHFFFAOYSA-N
MW440.56 g/mol
LogP6.22
Rot. Bonds5

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

1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10140458) has the molecular formula C29H29FN2O and a molecular weight of 440.56 g/mol. Its IUPAC name is 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10140458
Molecular FormulaC29H29FN2O
Molecular Weight440.56 g/mol
Exact Mass440.23
IUPAC Name1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(-n2cc(CCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
InChIInChI=1S/C29H29FN2O/c30-24-11-13-25(14-12-24)32-20-22(26-8-2-4-10-28(26)32)7-5-17-31-18-15-29(16-19-31)27-9-3-1-6-23(27)21-33-29/h1-4,6,8-14,20H,5,7,15-19,21H2
InChIKeyCQQLHMFPHISTLM-UHFFFAOYSA-N
XLogP6.22
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10140458) is 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Fc1ccc(-n2cc(CCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is CQQLHMFPHISTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2O/c30-24-11-13-25(14-12-24)32-20-22(26-8-2-4-10-28(26)32)7-5-17-31-18-15-29(16-19-31)27-9-3-1-6-23(27)21-33-29/h1-4,6,8-14,20H,5,7,15-19,21H2.
What are the key properties of 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 440.56 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-[1-(4-fluorophenyl)indol-3-yl]propyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10140458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).