3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide

• ChemBase ID: 695424
• Molecular Formular: C21H32N2O2
• Molecular Mass: 344.49098
• Monoisotopic Mass: 344.24637827
• SMILES: N1(CCC(CC1)CCC(=O)Nc1cc(OC)ccc1)C1CCCCC1
• Canonical SMILES: COc1cccc(c1)NC(=O)CCC1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C21H32N2O2/c1-25-20-9-5-6-18(16-20)22-21(24)11-10-17-12-14-23(15-13-17)19-7-3-2-4-8-19/h5-6,9,16-17,19H,2-4,7-8,10-15H2,1H3,(H,22,24)
• InChIKey: NLDBUIDJWWLTOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
• IUPAC Traditional name: 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
• Synonyms: 3-(1-cyclohexyl-4-piperidinyl)-N-(3-methoxyphenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785443
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4815426
• LogD (pH = 7.4): 0.9420313
• Log P: 3.9723513
• Molar Refractivity: 103.3008 cm^3
• Polarizability: 39.899197 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.21
• LOG S: -4.38
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5