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

• ChemBase ID: 410240
• Molecular Formular: C24H32N4O
• Molecular Mass: 392.53708
• Monoisotopic Mass: 392.25761166
• SMILES: c1(N2CCC(N3CC(C(=O)NC4CC4)CCC3)CC2)c2c(nc(c1)C)cccc2
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)c1cc(C)nc2c1cccc2)NC1CC1
• InChI: InChI=1S/C24H32N4O/c1-17-15-23(21-6-2-3-7-22(21)25-17)27-13-10-20(11-14-27)28-12-4-5-18(16-28)24(29)26-19-8-9-19/h2-3,6-7,15,18-20H,4-5,8-14,16H2,1H3,(H,26,29)
• InChIKey: ZRTGJSWDYTWLLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.824744
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6935375
• LogD (pH = 7.4): -0.9255643
• Log P: 2.5084367
• Molar Refractivity: 116.6085 cm^3
• Polarizability: 46.19753 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: 2.82
• LOG S: -4.47
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 4