4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide

C13H25BrN2O2 — CID 166722696

IUPAC4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
SMILESCC1(C)CCCC(C)(C)N1ONC(=O)CCCBr
InChIInChI=1S/C13H25BrN2O2/c1-12(2)8-6-9-13(3,4)16(12)18-15-11(17)7-5-10-14/h5-10H2,1-4H3,(H,15,17)
InChIKeyQTJVJKKBAXVLNS-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.17
Rot. Bonds5

About 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide

4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide (PubChem CID 166722696) has the molecular formula C13H25BrN2O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide.

Molecular Properties

Compound Name4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
PubChem CID166722696
Molecular FormulaC13H25BrN2O2
Molecular Weight321.26 g/mol
Exact Mass320.11
IUPAC Name4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
SMILESCC1(C)CCCC(C)(C)N1ONC(=O)CCCBr
InChIInChI=1S/C13H25BrN2O2/c1-12(2)8-6-9-13(3,4)16(12)18-15-11(17)7-5-10-14/h5-10H2,1-4H3,(H,15,17)
InChIKeyQTJVJKKBAXVLNS-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide?
The IUPAC name of 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide (CID 166722696) is 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide.
What is the SMILES notation for 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide?
The canonical SMILES for 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide is CC1(C)CCCC(C)(C)N1ONC(=O)CCCBr.
What is the InChIKey of 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide?
The InChIKey is QTJVJKKBAXVLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2O2/c1-12(2)8-6-9-13(3,4)16(12)18-15-11(17)7-5-10-14/h5-10H2,1-4H3,(H,15,17).
What are the key properties of 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide?
4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide has a molecular weight of 321.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide is sourced from PubChem (CID 166722696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).