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

C27H25FN2O — CID 10431821

IUPAC1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(-n2cc(CN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
InChIInChI=1S/C27H25FN2O/c28-22-9-11-23(12-10-22)30-18-21(24-6-2-4-8-26(24)30)17-29-15-13-27(14-16-29)25-7-3-1-5-20(25)19-31-27/h1-12,18H,13-17,19H2
InChIKeyLQQXOQVEOVMHRP-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.79
Rot. Bonds3

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

1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10431821) has the molecular formula C27H25FN2O and a molecular weight of 412.51 g/mol. Its IUPAC name is 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10431821
Molecular FormulaC27H25FN2O
Molecular Weight412.51 g/mol
Exact Mass412.20
IUPAC Name1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(-n2cc(CN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
InChIInChI=1S/C27H25FN2O/c28-22-9-11-23(12-10-22)30-18-21(24-6-2-4-8-26(24)30)17-29-15-13-27(14-16-29)25-7-3-1-5-20(25)19-31-27/h1-12,18H,13-17,19H2
InChIKeyLQQXOQVEOVMHRP-UHFFFAOYSA-N
XLogP5.79
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10431821) is 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Fc1ccc(-n2cc(CN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is LQQXOQVEOVMHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O/c28-22-9-11-23(12-10-22)30-18-21(24-6-2-4-8-26(24)30)17-29-15-13-27(14-16-29)25-7-3-1-5-20(25)19-31-27/h1-12,18H,13-17,19H2.
What are the key properties of 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 412.51 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[1-(4-fluorophenyl)indol-3-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10431821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).