(3R,4S)-N-(cyclohexylmethyl)-4-hydroxy-3,4-dimethylpiperidine-1-carboxamide

• ChemBase ID: 516175
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: N1(C(=O)NCC2CCCCC2)C[C@H]([C@](CC1)(O)C)C
• Canonical SMILES: O=C(N1CC[C@]([C@@H](C1)C)(C)O)NCC1CCCCC1
• InChI: InChI=1S/C15H28N2O2/c1-12-11-17(9-8-15(12,2)19)14(18)16-10-13-6-4-3-5-7-13/h12-13,19H,3-11H2,1-2H3,(H,16,18)/t12-,15+/m1/s1
• InChIKey: ZBPXTRTZACCYPY-DOMZBBRYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-N-(cyclohexylmethyl)-4-hydroxy-3,4-dimethylpiperidine-1-carboxamide
• IUPAC Traditional name: (3R,4S)-N-(cyclohexylmethyl)-4-hydroxy-3,4-dimethylpiperidine-1-carboxamide
• Synonyms: (3R*,4S*)-N-(cyclohexylmethyl)-4-hydroxy-3,4-dimethyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.674466
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4994365
• LogD (pH = 7.4): 1.4994373
• Log P: 1.4994375
• Molar Refractivity: 76.3566 cm^3
• Polarizability: 29.86569 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.98
• LOG S: -3.7
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 2