2-(piperidin-1-yl)-N-{[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl}acetamide

• ChemBase ID: 672145
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(CC(CNC(=O)CN2CCCCC2)CCC1)Cc1ccncc1
• Canonical SMILES: O=C(CN1CCCCC1)NCC1CCCN(C1)Cc1ccncc1
• InChI: InChI=1S/C19H30N4O/c24-19(16-22-10-2-1-3-11-22)21-13-18-5-4-12-23(15-18)14-17-6-8-20-9-7-17/h6-9,18H,1-5,10-16H2,(H,21,24)
• InChIKey: REHGEHKSZDZQRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-N-{[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-(piperidin-1-yl)-N-{[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl}acetamide
• Synonyms: 2-piperidin-1-yl-N-{[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.609054
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.025173
• LogD (pH = 7.4): -0.56205386
• Log P: 0.97101665
• Molar Refractivity: 97.5596 cm^3
• Polarizability: 38.015358 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: 1.47
• LOG S: -1.56
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6