1-[1-(cyclobutylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 699129
• Molecular Formular: C22H34N4O
• Molecular Mass: 370.53156
• Monoisotopic Mass: 370.27326173
• SMILES: N1(C2CCN(CC2)CC2CCC2)CCC(C(=O)NCc2cnccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)CC1CCC1)NCc1cccnc1
• InChI: InChI=1S/C22H34N4O/c27-22(24-16-19-5-2-10-23-15-19)20-6-13-26(14-7-20)21-8-11-25(12-9-21)17-18-3-1-4-18/h2,5,10,15,18,20-21H,1,3-4,6-9,11-14,16-17H2,(H,24,27)
• InChIKey: NXYVQONFDGOGPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(cyclobutylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-[1-(cyclobutylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1'-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.451839
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.3261266
• LogD (pH = 7.4): -1.8168014
• Log P: 1.4387664
• Molar Refractivity: 109.5387 cm^3
• Polarizability: 42.8143 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.9
• LOG S: -2.22
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6