[4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

C26H25NO2 — CID 78322224

IUPAC[4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
SMILESCc1ccccc1-c1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C26H25NO2/c1-19-6-2-4-8-23(19)20-10-12-21(13-11-20)25(28)27-16-14-26(15-17-27)24-9-5-3-7-22(24)18-29-26/h2-13H,14-18H2,1H3
InChIKeyHAWZKQNLLKOVQX-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.32
Rot. Bonds2

About [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

[4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone (PubChem CID 78322224) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
PubChem CID78322224
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name[4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
SMILESCc1ccccc1-c1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C26H25NO2/c1-19-6-2-4-8-23(19)20-10-12-21(13-11-20)25(28)27-16-14-26(15-17-27)24-9-5-3-7-22(24)18-29-26/h2-13H,14-18H2,1H3
InChIKeyHAWZKQNLLKOVQX-UHFFFAOYSA-N
XLogP5.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone (CID 78322224) is [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone is Cc1ccccc1-c1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1.
What is the InChIKey of [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is HAWZKQNLLKOVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-19-6-2-4-8-23(19)20-10-12-21(13-11-20)25(28)27-16-14-26(15-17-27)24-9-5-3-7-22(24)18-29-26/h2-13H,14-18H2,1H3.
What are the key properties of [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
[4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 383.49 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 78322224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).