1-(1-methylpiperidin-4-yl)-N-(2-phenylpropan-2-yl)piperidine-3-carboxamide

• ChemBase ID: 425626
• Molecular Formular: C21H33N3O
• Molecular Mass: 343.50622
• Monoisotopic Mass: 343.26236269
• SMILES: C(=O)(C1CN(C2CCN(CC2)C)CCC1)NC(c1ccccc1)(C)C
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)NC(c1ccccc1)(C)C
• InChI: InChI=1S/C21H33N3O/c1-21(2,18-9-5-4-6-10-18)22-20(25)17-8-7-13-24(16-17)19-11-14-23(3)15-12-19/h4-6,9-10,17,19H,7-8,11-16H2,1-3H3,(H,22,25)
• InChIKey: GXDNHTNVQARGHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-4-yl)-N-(2-phenylpropan-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-methylpiperidin-4-yl)-N-(2-phenylpropan-2-yl)piperidine-3-carboxamide
• Synonyms: 1'-methyl-N-(1-methyl-1-phenylethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.653405
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8437638
• LogD (pH = 7.4): -0.5489762
• Log P: 2.284352
• Molar Refractivity: 104.0556 cm^3
• Polarizability: 40.77462 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.67
• LOG S: -3.98
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4