1-(1-methylpiperidin-4-yl)-N-[(6-methylpyridin-2-yl)methyl]piperidine-3-carboxamide

• ChemBase ID: 735376
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(CC(C(=O)NCc2nc(ccc2)C)CCC1)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)NCc1cccc(n1)C
• InChI: InChI=1S/C19H30N4O/c1-15-5-3-7-17(21-15)13-20-19(24)16-6-4-10-23(14-16)18-8-11-22(2)12-9-18/h3,5,7,16,18H,4,6,8-14H2,1-2H3,(H,20,24)
• InChIKey: IEOTZLRKJXQVED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-4-yl)-N-[(6-methylpyridin-2-yl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-methylpiperidin-4-yl)-N-[(6-methylpyridin-2-yl)methyl]piperidine-3-carboxamide
• Synonyms: 1'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.535082
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.605435
• LogD (pH = 7.4): -2.347641
• Log P: 0.5823699
• Molar Refractivity: 96.911 cm^3
• Polarizability: 37.939117 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: 4
• H Donor: 1
• Log P: 1.0
• LOG S: -2.1
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 4