3-(1-butyl-1H-imidazol-2-yl)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperidine

• ChemBase ID: 434963
• Molecular Formular: C22H28FN3O
• Molecular Mass: 369.4756232
• Monoisotopic Mass: 369.22164075
• SMILES: C1(C(=O)N2CC(c3n(ccn3)CCCC)CCC2)(CC1)c1c(F)cccc1
• Canonical SMILES: CCCCn1ccnc1C1CCCN(C1)C(=O)C1(CC1)c1ccccc1F
• InChI: InChI=1S/C22H28FN3O/c1-2-3-13-25-15-12-24-20(25)17-7-6-14-26(16-17)21(27)22(10-11-22)18-8-4-5-9-19(18)23/h4-5,8-9,12,15,17H,2-3,6-7,10-11,13-14,16H2,1H3
• InChIKey: KDANHZYWUDKDQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-butyl-1H-imidazol-2-yl)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperidine
• IUPAC Traditional name: 3-(1-butylimidazol-2-yl)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperidine
• Synonyms: 3-(1-butyl-1H-imidazol-2-yl)-1-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3394258
• LogD (pH = 7.4): 3.978242
• Log P: 4.0071597
• Molar Refractivity: 104.2789 cm^3
• Polarizability: 39.99626 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.55
• LOG S: -4.93
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6