4-[(1-acetylpiperidin-4-yl)oxy]-N-cyclohexyl-3-methoxy-N-methylbenzamide

• ChemBase ID: 494428
• Molecular Formular: C22H32N2O4
• Molecular Mass: 388.50048
• Monoisotopic Mass: 388.23620751
• SMILES: C(=O)(N(C1CCCCC1)C)c1cc(c(OC2CCN(C(=O)C)CC2)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C22H32N2O4/c1-16(25)24-13-11-19(12-14-24)28-20-10-9-17(15-21(20)27-3)22(26)23(2)18-7-5-4-6-8-18/h9-10,15,18-19H,4-8,11-14H2,1-3H3
• InChIKey: OTGGGPQGLNWJST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0088665
• LogD (pH = 7.4): 2.0088668
• Log P: 2.0088668
• Molar Refractivity: 108.5927 cm^3
• Polarizability: 41.899 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.19
• LOG S: -3.2
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4