(1R,5R)-6-[3-(4-fluorophenoxy)propyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

• ChemBase ID: 449760
• Molecular Formular: C19H28FN3O2
• Molecular Mass: 349.4429232
• Monoisotopic Mass: 349.21655537
• SMILES: N1(C(=O)N(C)C)C[C@@H]2N(C[C@H](C1)CC2)CCCOc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)OCCCN1C[C@H]2CC[C@@H]1CN(C2)C(=O)N(C)C
• InChI: InChI=1S/C19H28FN3O2/c1-21(2)19(24)23-13-15-4-7-17(14-23)22(12-15)10-3-11-25-18-8-5-16(20)6-9-18/h5-6,8-9,15,17H,3-4,7,10-14H2,1-2H3/t15-,17-/m1/s1
• InChIKey: RJXUKKSHSKLRHX-NVXWUHKLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-6-[3-(4-fluorophenoxy)propyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• IUPAC Traditional name: (1R,5R)-6-[3-(4-fluorophenoxy)propyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
• Synonyms: (1R*,5R*)-6-[3-(4-fluorophenoxy)propyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.009792
• LogD (pH = 7.4): 0.7535399
• Log P: 1.7947874
• Molar Refractivity: 96.2349 cm^3
• Polarizability: 37.029106 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.26
• LOG S: -4.53
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5