1-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]cyclopropane-1-carboxamide

• ChemBase ID: 460277
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: C1(C(=O)N2C[C@H]([C@@](CC2)(C2CCC2)O)C)(CC1)C(=O)N
• Canonical SMILES: C[C@@H]1CN(CC[C@@]1(O)C1CCC1)C(=O)C1(CC1)C(=O)N
• InChI: InChI=1S/C15H24N2O3/c1-10-9-17(13(19)14(5-6-14)12(16)18)8-7-15(10,20)11-3-2-4-11/h10-11,20H,2-9H2,1H3,(H2,16,18)/t10-,15+/m1/s1
• InChIKey: MOEHFENBAUXFKS-BMIGLBTASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]cyclopropane-1-carboxamide
• Synonyms: 1-{[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methyl-1-piperidinyl]carbonyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.27163
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.08392212
• LogD (pH = 7.4): 0.08392206
• Log P: 0.08392212
• Molar Refractivity: 74.2722 cm^3
• Polarizability: 29.244444 Å^3
• Polar Surface Area: 83.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.29
• LOG S: -2.31
• Polar Surface Area: 83.63 Å^2
• Rotatable Bonds: 3