1-(1-benzylpiperidin-4-yl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide

• ChemBase ID: 406430
• Molecular Formular: C22H35N3O2
• Molecular Mass: 373.5322
• Monoisotopic Mass: 373.27292738
• SMILES: C1(C(=O)N(CCOC)C)CN(C2CCN(CC2)Cc2ccccc2)CCC1
• Canonical SMILES: COCCN(C(=O)C1CCCN(C1)C1CCN(CC1)Cc1ccccc1)C
• InChI: InChI=1S/C22H35N3O2/c1-23(15-16-27-2)22(26)20-9-6-12-25(18-20)21-10-13-24(14-11-21)17-19-7-4-3-5-8-19/h3-5,7-8,20-21H,6,9-18H2,1-2H3
• InChIKey: QUDJDWZHJVDWLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzylpiperidin-4-yl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-benzylpiperidin-4-yl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
• Synonyms: 1'-benzyl-N-(2-methoxyethyl)-N-methyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.434239
• LogD (pH = 7.4): -1.1851125
• Log P: 1.7639009
• Molar Refractivity: 110.9388 cm^3
• Polarizability: 43.293987 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.22
• LOG S: -3.82
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 7