2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide

C16H19BrN2O3 — CID 91958080

IUPAC2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)cc2oc(Br)cc12
InChIInChI=1S/C16H19BrN2O3/c1-19-5-3-11(4-6-19)18-16(20)10-7-13(21-2)12-9-15(17)22-14(12)8-10/h7-9,11H,3-6H2,1-2H3,(H,18,20)
InChIKeyOPSQPUJLUJASOS-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.03
Rot. Bonds3

About 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide

2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide (PubChem CID 91958080) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
PubChem CID91958080
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)cc2oc(Br)cc12
InChIInChI=1S/C16H19BrN2O3/c1-19-5-3-11(4-6-19)18-16(20)10-7-13(21-2)12-9-15(17)22-14(12)8-10/h7-9,11H,3-6H2,1-2H3,(H,18,20)
InChIKeyOPSQPUJLUJASOS-UHFFFAOYSA-N
XLogP3.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
CID 91958157
2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 91958249
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
(2-bromo-4-methoxy-1-benzofuran-6-yl)-pyrrolidin-1-ylmethanone
CID 91958137
[2-bromo-4-(2-methoxyethoxy)-1-benzofuran-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 91958184
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 155022118
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide?
The IUPAC name of 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide (CID 91958080) is 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide is COc1cc(C(=O)NC2CCN(C)CC2)cc2oc(Br)cc12.
What is the InChIKey of 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide?
The InChIKey is OPSQPUJLUJASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-19-5-3-11(4-6-19)18-16(20)10-7-13(21-2)12-9-15(17)22-14(12)8-10/h7-9,11H,3-6H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide?
2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91958080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).