N-cyclopropyl-1-[1-(quinolin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 611798
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: n1c(N2CCC(N3CC(C(=O)NC4CC4)CCC3)CC2)ccc2c1cccc2
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)c1ccc2c(n1)cccc2)NC1CC1
• InChI: InChI=1S/C23H30N4O/c28-23(24-19-8-9-19)18-5-3-13-27(16-18)20-11-14-26(15-12-20)22-10-7-17-4-1-2-6-21(17)25-22/h1-2,4,6-7,10,18-20H,3,5,8-9,11-16H2,(H,24,28)
• InChIKey: PSAGNROUPNMGST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[1-(quinolin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[1-(quinolin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-quinolin-2-yl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.592921
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7359827
• LogD (pH = 7.4): 0.85308176
• Log P: 2.971524
• Molar Refractivity: 112.3305 cm^3
• Polarizability: 44.434196 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.28
• LOG S: -3.05
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 4