1-cyclohexyl-N-{3-[methyl(phenyl)amino]propyl}piperidine-4-carboxamide

• ChemBase ID: 828675
• Molecular Formular: C22H35N3O
• Molecular Mass: 357.5328
• Monoisotopic Mass: 357.27801276
• SMILES: N1(CCC(C(=O)NCCCN(c2ccccc2)C)CC1)C1CCCCC1
• Canonical SMILES: CN(c1ccccc1)CCCNC(=O)C1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C22H35N3O/c1-24(20-9-4-2-5-10-20)16-8-15-23-22(26)19-13-17-25(18-14-19)21-11-6-3-7-12-21/h2,4-5,9-10,19,21H,3,6-8,11-18H2,1H3,(H,23,26)
• InChIKey: WINRHVZASLNBCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-{3-[methyl(phenyl)amino]propyl}piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-{3-[methyl(phenyl)amino]propyl}piperidine-4-carboxamide
• Synonyms: 1-cyclohexyl-N-{3-[methyl(phenyl)amino]propyl}-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.25793
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2876843
• LogD (pH = 7.4): 0.8021691
• Log P: 3.4490085
• Molar Refractivity: 109.4861 cm^3
• Polarizability: 42.228687 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.05
• LOG S: -5.27
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7