5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride

C15H18BrClN2O2 — CID 119441290

IUPAC5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1cc2cc(Br)ccc2o1)C1CCNCC1.Cl
InChIInChI=1S/C15H17BrN2O2.ClH/c1-18(12-4-6-17-7-5-12)15(19)14-9-10-8-11(16)2-3-13(10)20-14;/h2-3,8-9,12,17H,4-7H2,1H3;1H
InChIKeyWVFKKJHPMBNXTA-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.44
Rot. Bonds2

About 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride

5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119441290) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119441290
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC Name5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1cc2cc(Br)ccc2o1)C1CCNCC1.Cl
InChIInChI=1S/C15H17BrN2O2.ClH/c1-18(12-4-6-17-7-5-12)15(19)14-9-10-8-11(16)2-3-13(10)20-14;/h2-3,8-9,12,17H,4-7H2,1H3;1H
InChIKeyWVFKKJHPMBNXTA-UHFFFAOYSA-N
XLogP3.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151
N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide
CID 123362324
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 49264037
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119509944
N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
3-[(5-bromo-1-benzofuran-2-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 122146454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride (CID 119441290) is 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride is CN(C(=O)c1cc2cc(Br)ccc2o1)C1CCNCC1.Cl.
What is the InChIKey of 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is WVFKKJHPMBNXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2.ClH/c1-18(12-4-6-17-7-5-12)15(19)14-9-10-8-11(16)2-3-13(10)20-14;/h2-3,8-9,12,17H,4-7H2,1H3;1H.
What are the key properties of 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride?
5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119441290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).