2-(piperidin-1-yl)-N-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl}acetamide

• ChemBase ID: 789014
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(Cc2ncccc2)CCC(CNC(=O)CN2CCCCC2)CC1
• Canonical SMILES: O=C(CN1CCCCC1)NCC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C19H30N4O/c24-19(16-22-10-4-1-5-11-22)21-14-17-7-12-23(13-8-17)15-18-6-2-3-9-20-18/h2-3,6,9,17H,1,4-5,7-8,10-16H2,(H,21,24)
• InChIKey: SKQPNWFIOLYHKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-N-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl}acetamide
• IUPAC Traditional name: 2-(piperidin-1-yl)-N-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl}acetamide
• Synonyms: 2-piperidin-1-yl-N-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.571205
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.278297
• LogD (pH = 7.4): 0.10900265
• Log P: 1.0109318
• Molar Refractivity: 97.1362 cm^3
• Polarizability: 38.016464 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: 1.51
• LOG S: -1.6
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6