1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methyl-N-(propan-2-yl)piperidine-3-carboxamide

• ChemBase ID: 767931
• Molecular Formular: C19H33N3O2
• Molecular Mass: 335.48422
• Monoisotopic Mass: 335.25727731
• SMILES: C(=O)(C1CN(C2CCN(C(=O)C3CC3)CC2)CCC1)N(C(C)C)C
• Canonical SMILES: CC(N(C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1)C)C
• InChI: InChI=1S/C19H33N3O2/c1-14(2)20(3)18(23)16-5-4-10-22(13-16)17-8-11-21(12-9-17)19(24)15-6-7-15/h14-17H,4-13H2,1-3H3
• InChIKey: LKZYBNGQUXVHJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methyl-N-(propan-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-isopropyl-N-methylpiperidine-3-carboxamide
• Synonyms: 1'-(cyclopropylcarbonyl)-N-isopropyl-N-methyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.5156124
• LogD (pH = 7.4): -1.22132
• Log P: 0.8664768
• Molar Refractivity: 96.1205 cm^3
• Polarizability: 37.481728 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.12
• LOG S: -1.15
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3