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

C28H27FN2O — CID 10477563

IUPAC1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(-n2cc(CCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
InChIInChI=1S/C28H27FN2O/c29-23-9-11-24(12-10-23)31-19-21(25-6-2-4-8-27(25)31)13-16-30-17-14-28(15-18-30)26-7-3-1-5-22(26)20-32-28/h1-12,19H,13-18,20H2
InChIKeyGLFBIDLIDSKSBO-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.83
Rot. Bonds4

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

1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10477563) has the molecular formula C28H27FN2O and a molecular weight of 426.54 g/mol. Its IUPAC name is 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10477563
Molecular FormulaC28H27FN2O
Molecular Weight426.54 g/mol
Exact Mass426.21
IUPAC Name1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(-n2cc(CCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
InChIInChI=1S/C28H27FN2O/c29-23-9-11-24(12-10-23)31-19-21(25-6-2-4-8-27(25)31)13-16-30-17-14-28(15-18-30)26-7-3-1-5-22(26)20-32-28/h1-12,19H,13-18,20H2
InChIKeyGLFBIDLIDSKSBO-UHFFFAOYSA-N
XLogP5.83
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10477563) is 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Fc1ccc(-n2cc(CCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is GLFBIDLIDSKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O/c29-23-9-11-24(12-10-23)31-19-21(25-6-2-4-8-27(25)31)13-16-30-17-14-28(15-18-30)26-7-3-1-5-22(26)20-32-28/h1-12,19H,13-18,20H2.
What are the key properties of 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 426.54 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-[1-(4-fluorophenyl)indol-3-yl]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10477563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).