6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide

C24H28N2O2 — CID 164610333

IUPAC6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccc3c(C(=O)NC4CCNCC4)coc3c2)cc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)18-7-4-16(5-8-18)17-6-9-20-21(15-28-22(20)14-17)23(27)26-19-10-12-25-13-11-19/h4-9,14-15,19,25H,10-13H2,1-3H3,(H,26,27)
InChIKeyZUYAELFLGQDDJG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.88
Rot. Bonds3

About 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide

6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide (PubChem CID 164610333) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide
PubChem CID164610333
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccc3c(C(=O)NC4CCNCC4)coc3c2)cc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)18-7-4-16(5-8-18)17-6-9-20-21(15-28-22(20)14-17)23(27)26-19-10-12-25-13-11-19/h4-9,14-15,19,25H,10-13H2,1-3H3,(H,26,27)
InChIKeyZUYAELFLGQDDJG-UHFFFAOYSA-N
XLogP4.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide (CID 164610333) is 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide is CC(C)(C)c1ccc(-c2ccc3c(C(=O)NC4CCNCC4)coc3c2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide?
The InChIKey is ZUYAELFLGQDDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-24(2,3)18-7-4-16(5-8-18)17-6-9-20-21(15-28-22(20)14-17)23(27)26-19-10-12-25-13-11-19/h4-9,14-15,19,25H,10-13H2,1-3H3,(H,26,27).
What are the key properties of 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide?
6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-N-piperidin-4-yl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 164610333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).