1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-(1-phenylcyclopropyl)piperidine-3-carboxamide

• ChemBase ID: 637737
• Molecular Formular: C24H33N3O2
• Molecular Mass: 395.53772
• Monoisotopic Mass: 395.25727731
• SMILES: C1(NC(=O)C2CN(C3CCN(C(=O)C4CC4)CC3)CCC2)(CC1)c1ccccc1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1)NC1(CC1)c1ccccc1
• InChI: InChI=1S/C24H33N3O2/c28-22(25-24(12-13-24)20-6-2-1-3-7-20)19-5-4-14-27(17-19)21-10-15-26(16-11-21)23(29)18-8-9-18/h1-3,6-7,18-19,21H,4-5,8-17H2,(H,25,28)
• InChIKey: JHLYKAQJAFCLFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-(1-phenylcyclopropyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-(1-phenylcyclopropyl)piperidine-3-carboxamide
• Synonyms: 1'-(cyclopropylcarbonyl)-N-(1-phenylcyclopropyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.947745
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.373472
• LogD (pH = 7.4): -0.011619546
• Log P: 1.983224
• Molar Refractivity: 113.7698 cm^3
• Polarizability: 44.501488 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.17
• LOG S: -3.73
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5