N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide

C21H21BrN2O2 — CID 55688262

IUPACN-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C21H21BrN2O2/c22-18-8-4-7-16-13-19(26-20(16)18)21(25)23-17-9-11-24(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H,23,25)
InChIKeyHXXQZARCDKTIBD-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.59
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide

N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide (PubChem CID 55688262) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
PubChem CID55688262
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC NameN-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C21H21BrN2O2/c22-18-8-4-7-16-13-19(26-20(16)18)21(25)23-17-9-11-24(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H,23,25)
InChIKeyHXXQZARCDKTIBD-UHFFFAOYSA-N
XLogP4.59
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813713
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide
CID 49016386
N-(1-benzylpiperidin-4-yl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 39895915
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide (CID 55688262) is N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide?
The InChIKey is HXXQZARCDKTIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c22-18-8-4-7-16-13-19(26-20(16)18)21(25)23-17-9-11-24(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide has a molecular weight of 413.32 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55688262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).