5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide

C14H21BrN2O2 — CID 3979269

IUPAC5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Br)o2)CC(C)(C)N1
InChIInChI=1S/C14H21BrN2O2/c1-13(2)7-9(8-14(3,4)17-13)16-12(18)10-5-6-11(15)19-10/h5-6,9,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyZRXBTRQFWLKRTH-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.08
Rot. Bonds2

About 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide

5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 3979269) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
PubChem CID3979269
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Br)o2)CC(C)(C)N1
InChIInChI=1S/C14H21BrN2O2/c1-13(2)7-9(8-14(3,4)17-13)16-12(18)10-5-6-11(15)19-10/h5-6,9,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyZRXBTRQFWLKRTH-UHFFFAOYSA-N
XLogP3.08
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide (CID 3979269) is 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide is CC1(C)CC(NC(=O)c2ccc(Br)o2)CC(C)(C)N1.
What is the InChIKey of 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is ZRXBTRQFWLKRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-13(2)7-9(8-14(3,4)17-13)16-12(18)10-5-6-11(15)19-10/h5-6,9,17H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide?
5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 3979269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).