4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one

• ChemBase ID: 193167
• Molecular Formular: C15H23NO3
• Molecular Mass: 265.34802
• Monoisotopic Mass: 265.1677936
• SMILES: C12(OC(=O)C(C1(C)C)(CC2)C)C(=O)N1CCCCC1
• Canonical SMILES: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N1CCCCC1
• InChI: InChI=1S/C15H23NO3/c1-13(2)14(3)7-8-15(13,19-12(14)18)11(17)16-9-5-4-6-10-16/h4-10H2,1-3H3
• InChIKey: CUEFTPINHIGJDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
• IUPAC Traditional name: 4,7,7-trimethyl-1-(piperidine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one

Database IDs

• PubChem SID: 164249077
• PubChem CID: 2941005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2192345
• LogD (pH = 7.4): 2.2192345
• Log P: 2.2192345
• Molar Refractivity: 70.6749 cm^3
• Polarizability: 28.16425 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds