5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide

C14H27BrN2O2 — CID 166722699

IUPAC5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide
SMILESCC1(C)CCCC(C)(C)N1ONC(=O)CCCCBr
InChIInChI=1S/C14H27BrN2O2/c1-13(2)9-7-10-14(3,4)17(13)19-16-12(18)8-5-6-11-15/h5-11H2,1-4H3,(H,16,18)
InChIKeyYSHCBPJOWUOOTE-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.56
Rot. Bonds6

About 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide

5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide (PubChem CID 166722699) has the molecular formula C14H27BrN2O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide.

Molecular Properties

Compound Name5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide
PubChem CID166722699
Molecular FormulaC14H27BrN2O2
Molecular Weight335.29 g/mol
Exact Mass334.13
IUPAC Name5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide
SMILESCC1(C)CCCC(C)(C)N1ONC(=O)CCCCBr
InChIInChI=1S/C14H27BrN2O2/c1-13(2)9-7-10-14(3,4)17(13)19-16-12(18)8-5-6-11-15/h5-11H2,1-4H3,(H,16,18)
InChIKeyYSHCBPJOWUOOTE-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide
CID 166722692
4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
CID 166722696
ethane;N-methyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetamide
CID 170609324
(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal
CID 102135644
5-bromo-N-methylpentanamide
CID 19971018
methyl 20-bromoicosanoate
CID 155895697
3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 62707645
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
5-bromo-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107910812
tert-butyl 5-(5-bromopentanoyl)-1,5-diazocane-1-carboxylate
CID 125425975
3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
CID 91549508
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 107910275

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide?
The IUPAC name of 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide (CID 166722699) is 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide.
What is the SMILES notation for 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide?
The canonical SMILES for 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide is CC1(C)CCCC(C)(C)N1ONC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide?
The InChIKey is YSHCBPJOWUOOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O2/c1-13(2)9-7-10-14(3,4)17(13)19-16-12(18)8-5-6-11-15/h5-11H2,1-4H3,(H,16,18).
What are the key properties of 5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide?
5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide has a molecular weight of 335.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 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-1-yl)oxypentanamide is sourced from PubChem (CID 166722699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).