N-methyl-2-({5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-yl}amino)acetamide

• ChemBase ID: 773607
• Molecular Formular: C22H28N4O2
• Molecular Mass: 380.48332
• Monoisotopic Mass: 380.22122616
• SMILES: C(=O)(N1CCC(CC1)CCc1ccccc1)c1cnc(NCC(=O)NC)cc1
• Canonical SMILES: CNC(=O)CNc1ccc(cn1)C(=O)N1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C22H28N4O2/c1-23-21(27)16-25-20-10-9-19(15-24-20)22(28)26-13-11-18(12-14-26)8-7-17-5-3-2-4-6-17/h2-6,9-10,15,18H,7-8,11-14,16H2,1H3,(H,23,27)(H,24,25)
• InChIKey: FIIWFQMSXJQKGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-({5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-yl}amino)acetamide
• IUPAC Traditional name: N-methyl-2-({5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-yl}amino)acetamide
• Synonyms: N~1~-methyl-N~2~-(5-{[4-(2-phenylethyl)piperidin-1-yl]carbonyl}pyridin-2-yl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.716507
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0685596
• LogD (pH = 7.4): 2.1743011
• Log P: 2.1758447
• Molar Refractivity: 112.0713 cm^3
• Polarizability: 41.815388 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.9
• LOG S: -3.6
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 7