2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide

C11H15BrN2O2 — CID 106995322

IUPAC2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
SMILESCC1CC(NC(=O)c2ccoc2Br)CCN1
InChIInChI=1S/C11H15BrN2O2/c1-7-6-8(2-4-13-7)14-11(15)9-3-5-16-10(9)12/h3,5,7-8,13H,2,4,6H2,1H3,(H,14,15)
InChIKeyAAEDDTXDUCHEGV-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.91
Rot. Bonds2

About 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide

2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide (PubChem CID 106995322) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
PubChem CID106995322
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
SMILESCC1CC(NC(=O)c2ccoc2Br)CCN1
InChIInChI=1S/C11H15BrN2O2/c1-7-6-8(2-4-13-7)14-11(15)9-3-5-16-10(9)12/h3,5,7-8,13H,2,4,6H2,1H3,(H,14,15)
InChIKeyAAEDDTXDUCHEGV-UHFFFAOYSA-N
XLogP1.91
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
CID 106853765
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 106853762

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide (CID 106995322) is 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide is CC1CC(NC(=O)c2ccoc2Br)CCN1.
What is the InChIKey of 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide?
The InChIKey is AAEDDTXDUCHEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-6-8(2-4-13-7)14-11(15)9-3-5-16-10(9)12/h3,5,7-8,13H,2,4,6H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide?
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide is sourced from PubChem (CID 106995322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).