1-cyclopropanecarbonyl-N-{[1-(2-fluorophenyl)cyclopentyl]methyl}piperidine-4-carboxamide

• ChemBase ID: 686163
• Molecular Formular: C22H29FN2O2
• Molecular Mass: 372.4762632
• Monoisotopic Mass: 372.2213064
• SMILES: C(=O)(N1CCC(C(=O)NCC2(c3c(F)cccc3)CCCC2)CC1)C1CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CC1)NCC1(CCCC1)c1ccccc1F
• InChI: InChI=1S/C22H29FN2O2/c23-19-6-2-1-5-18(19)22(11-3-4-12-22)15-24-20(26)16-9-13-25(14-10-16)21(27)17-7-8-17/h1-2,5-6,16-17H,3-4,7-15H2,(H,24,26)
• InChIKey: ACJOUEYWUALRFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-N-{[1-(2-fluorophenyl)cyclopentyl]methyl}piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopropanecarbonyl-N-{[1-(2-fluorophenyl)cyclopentyl]methyl}piperidine-4-carboxamide
• Synonyms: 1-(cyclopropylcarbonyl)-N-{[1-(2-fluorophenyl)cyclopentyl]methyl}-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.173462
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.010925
• LogD (pH = 7.4): 3.0109255
• Log P: 3.0109255
• Molar Refractivity: 102.6128 cm^3
• Polarizability: 39.686882 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.95
• LOG S: -4.44
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5