N-[cyclopropyl(6-methylpyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

• ChemBase ID: 313703
• Molecular Formular: C22H34N4O
• Molecular Mass: 370.53156
• Monoisotopic Mass: 370.27326173
• SMILES: N(C(=O)C1CCN(C2CCN(CC2)C)CC1)C(C1CC1)c1nc(ccc1)C
• Canonical SMILES: CN1CCC(CC1)N1CCC(CC1)C(=O)NC(c1cccc(n1)C)C1CC1
• InChI: InChI=1S/C22H34N4O/c1-16-4-3-5-20(23-16)21(17-6-7-17)24-22(27)18-8-14-26(15-9-18)19-10-12-25(2)13-11-19/h3-5,17-19,21H,6-15H2,1-2H3,(H,24,27)
• InChIKey: ICTFPMHUJRWTQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(6-methylpyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[cyclopropyl(6-methylpyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
• Synonyms: N-[cyclopropyl(6-methylpyridin-2-yl)methyl]-1'-methyl-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.619266
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7356212
• LogD (pH = 7.4): -1.3199366
• Log P: 1.418996
• Molar Refractivity: 108.7523 cm^3
• Polarizability: 42.73728 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: 1.61
• LOG S: -1.98
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5