1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C24H24N2O — CID 44561270

IUPAC1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1cncc(-c2ccc(CN3CCC4(CC3)OCc3ccccc34)cc2)c1
InChIInChI=1S/C24H24N2O/c1-2-6-23-22(4-1)18-27-24(23)11-14-26(15-12-24)17-19-7-9-20(10-8-19)21-5-3-13-25-16-21/h1-10,13,16H,11-12,14-15,17-18H2
InChIKeySPVVVSUTWZBZLN-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.77
Rot. Bonds3

About 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 44561270) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID44561270
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1cncc(-c2ccc(CN3CCC4(CC3)OCc3ccccc34)cc2)c1
InChIInChI=1S/C24H24N2O/c1-2-6-23-22(4-1)18-27-24(23)11-14-26(15-12-24)17-19-7-9-20(10-8-19)21-5-3-13-25-16-21/h1-10,13,16H,11-12,14-15,17-18H2
InChIKeySPVVVSUTWZBZLN-UHFFFAOYSA-N
XLogP4.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 44561270) is 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is c1cncc(-c2ccc(CN3CCC4(CC3)OCc3ccccc34)cc2)c1.
What is the InChIKey of 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is SPVVVSUTWZBZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-6-23-22(4-1)18-27-24(23)11-14-26(15-12-24)17-19-7-9-20(10-8-19)21-5-3-13-25-16-21/h1-10,13,16H,11-12,14-15,17-18H2.
What are the key properties of 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 356.47 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-pyridin-3-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 44561270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).