7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide

C16H19BrN2O2 — CID 62046555

IUPAC7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2cccc(Br)c2o1)C1CCCNC1
InChIInChI=1S/C16H19BrN2O2/c1-10(12-5-3-7-18-9-12)19-16(20)14-8-11-4-2-6-13(17)15(11)21-14/h2,4,6,8,10,12,18H,3,5,7,9H2,1H3,(H,19,20)
InChIKeyHWDQGUSVAWUWDO-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.31
Rot. Bonds3

About 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide

7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 62046555) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID62046555
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2cccc(Br)c2o1)C1CCCNC1
InChIInChI=1S/C16H19BrN2O2/c1-10(12-5-3-7-18-9-12)19-16(20)14-8-11-4-2-6-13(17)15(11)21-14/h2,4,6,8,10,12,18H,3,5,7,9H2,1H3,(H,19,20)
InChIKeyHWDQGUSVAWUWDO-UHFFFAOYSA-N
XLogP3.31
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 115736933
5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
CID 113265499
N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 62046369
(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
3-methyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119474248
7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 115323833

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide (CID 62046555) is 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide is CC(NC(=O)c1cc2cccc(Br)c2o1)C1CCCNC1.
What is the InChIKey of 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HWDQGUSVAWUWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10(12-5-3-7-18-9-12)19-16(20)14-8-11-4-2-6-13(17)15(11)21-14/h2,4,6,8,10,12,18H,3,5,7,9H2,1H3,(H,19,20).
What are the key properties of 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 62046555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).