4-[(1-cyclohexylpiperidin-4-yl)oxy]-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 409590
• Molecular Formular: C24H31N3O2
• Molecular Mass: 393.52184
• Monoisotopic Mass: 393.24162725
• SMILES: N1(CCC(CC1)Oc1ccc(C(=O)NCc2ncccc2)cc1)C1CCCCC1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C1CCCCC1)NCc1ccccn1
• InChI: InChI=1S/C24H31N3O2/c28-24(26-18-20-6-4-5-15-25-20)19-9-11-22(12-10-19)29-23-13-16-27(17-14-23)21-7-2-1-3-8-21/h4-6,9-12,15,21,23H,1-3,7-8,13-14,16-18H2,(H,26,28)
• InChIKey: JYOCYTGVLOVMKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclohexylpiperidin-4-yl)oxy]-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 4-[(1-cyclohexylpiperidin-4-yl)oxy]-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 4-[(1-cyclohexyl-4-piperidinyl)oxy]-N-(2-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.896725
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14120124
• LogD (pH = 7.4): 0.997706
• Log P: 3.3042402
• Molar Refractivity: 114.8951 cm^3
• Polarizability: 44.69953 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.36
• LOG S: -5.42
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6