6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide

C15H29BrN2O2 — CID 166722692

IUPAC6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide
SMILESCC1(C)CCCC(C)(C)N1ONC(=O)CCCCCBr
InChIInChI=1S/C15H29BrN2O2/c1-14(2)10-8-11-15(3,4)18(14)20-17-13(19)9-6-5-7-12-16/h5-12H2,1-4H3,(H,17,19)
InChIKeyVZVWWPCOCMFHTM-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.95
Rot. Bonds7

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

6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide (PubChem CID 166722692) has the molecular formula C15H29BrN2O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide.

Molecular Properties

Compound Name6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide
PubChem CID166722692
Molecular FormulaC15H29BrN2O2
Molecular Weight349.31 g/mol
Exact Mass348.14
IUPAC Name6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide
SMILESCC1(C)CCCC(C)(C)N1ONC(=O)CCCCCBr
InChIInChI=1S/C15H29BrN2O2/c1-14(2)10-8-11-15(3,4)18(14)20-17-13(19)9-6-5-7-12-16/h5-12H2,1-4H3,(H,17,19)
InChIKeyVZVWWPCOCMFHTM-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.95
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'}

Analyze 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanamide
CID 166722699
4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
CID 166722696
methyl 20-bromoicosanoate
CID 155895697
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-bromopentyl piperidine-1-carboxylate
CID 103970657
5-bromo-N-methylpentanamide
CID 19971018
20-bromo-N-hydroxyicosanamide
CID 87683991
32-bromo-N-hydroxydotriacontanamide
CID 87685342
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide?
The IUPAC name of 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide (CID 166722692) is 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide.
What is the SMILES notation for 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide?
The canonical SMILES for 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide is CC1(C)CCCC(C)(C)N1ONC(=O)CCCCCBr.
What is the InChIKey of 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide?
The InChIKey is VZVWWPCOCMFHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrN2O2/c1-14(2)10-8-11-15(3,4)18(14)20-17-13(19)9-6-5-7-12-16/h5-12H2,1-4H3,(H,17,19).
What are the key properties of 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide?
6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide has a molecular weight of 349.31 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanamide is sourced from PubChem (CID 166722692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).