4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

• ChemBase ID: 193429
• Molecular Formular: C20H34N2O2
• Molecular Mass: 334.49616
• Monoisotopic Mass: 334.26202834
• SMILES: C12(C(C(C(=O)C1)(CC2)C)(C)C)C(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(C12CCC(C2(C)C)(C(=O)C1)C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C20H34N2O2/c1-16(2)10-13(11-17(3,4)22-16)21-15(24)20-9-8-19(7,14(23)12-20)18(20,5)6/h13,22H,8-12H2,1-7H3,(H,21,24)
• InChIKey: ONQAYZAARFLCHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
• IUPAC Traditional name: 4,7,7-trimethyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

Database IDs

• PubChem SID: 164249339
• PubChem CID: 2920504

CALCULATED PROPERTIES

• Acid pKa: 15.892733
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.73033047
• LogD (pH = 7.4): -0.22967765
• Log P: 2.4995203
• Molar Refractivity: 95.6736 cm^3
• Polarizability: 38.18548 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds