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

• ChemBase ID: 360134
• Molecular Formular: C22H34N4O2
• Molecular Mass: 386.53096
• Monoisotopic Mass: 386.26817635
• SMILES: N1(CC(C(=O)NCC(=O)NC)CCC1)C1CCN(CC1)CCc1ccccc1
• Canonical SMILES: CNC(=O)CNC(=O)C1CCCN(C1)C1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C22H34N4O2/c1-23-21(27)16-24-22(28)19-8-5-12-26(17-19)20-10-14-25(15-11-20)13-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)(H,24,28)
• InChIKey: GQNJXNIOMOSNHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-({1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl}formamido)acetamide
• IUPAC Traditional name: N-methyl-2-({1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl}formamido)acetamide
• Synonyms: N-[2-(methylamino)-2-oxoethyl]-1'-(2-phenylethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.217261
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.6535034
• LogD (pH = 7.4): -2.3069146
• Log P: 0.7705782
• Molar Refractivity: 112.5571 cm^3
• Polarizability: 43.729324 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.64
• LOG S: -3.42
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 7