1-(1-cyclobutylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 540164
• Molecular Formular: C21H32N4O
• Molecular Mass: 356.50498
• Monoisotopic Mass: 356.25761166
• SMILES: N1(CC(C(=O)NCc2cnccc2)CCC1)C1CCN(CC1)C1CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C1CCC1)NCc1cccnc1
• InChI: InChI=1S/C21H32N4O/c26-21(23-15-17-4-2-10-22-14-17)18-5-3-11-25(16-18)20-8-12-24(13-9-20)19-6-1-7-19/h2,4,10,14,18-20H,1,3,5-9,11-13,15-16H2,(H,23,26)
• InChIKey: CRSVIZRHPVJVGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclobutylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-cyclobutylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• Synonyms: 1'-cyclobutyl-N-(3-pyridinylmethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.387146
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.332884
• LogD (pH = 7.4): -1.8172042
• Log P: 1.279661
• Molar Refractivity: 104.6539 cm^3
• Polarizability: 40.97063 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.02
• LOG S: -2.35
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5