4-[(1-acetylpiperidin-4-yl)oxy]-N-cycloheptyl-3-methoxybenzamide

• ChemBase ID: 322072
• Molecular Formular: C22H32N2O4
• Molecular Mass: 388.50048
• Monoisotopic Mass: 388.23620751
• SMILES: N1(C(=O)C)CCC(Oc2c(cc(C(=O)NC3CCCCCC3)cc2)OC)CC1
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)NC1CCCCCC1
• InChI: InChI=1S/C22H32N2O4/c1-16(25)24-13-11-19(12-14-24)28-20-10-9-17(15-21(20)27-2)22(26)23-18-7-5-3-4-6-8-18/h9-10,15,18-19H,3-8,11-14H2,1-2H3,(H,23,26)
• InChIKey: SKOCYZXRJWQUCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-acetylpiperidin-4-yl)oxy]-N-cycloheptyl-3-methoxybenzamide
• IUPAC Traditional name: 4-[(1-acetylpiperidin-4-yl)oxy]-N-cycloheptyl-3-methoxybenzamide
• Synonyms: 4-[(1-acetyl-4-piperidinyl)oxy]-N-cycloheptyl-3-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.802017
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.229759
• LogD (pH = 7.4): 2.2297592
• Log P: 2.2297592
• Molar Refractivity: 108.297 cm^3
• Polarizability: 41.899193 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.99
• LOG S: -4.45
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 4