4-methoxy-N-methyl-N-(oxolan-3-yl)-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 515843
• Molecular Formular: C21H32N2O4
• Molecular Mass: 376.48978
• Monoisotopic Mass: 376.23620751
• SMILES: C(=O)(N(C1CCOC1)C)c1cc(OC2CCN(CC2)C(C)C)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)N(C1COCC1)C
• InChI: InChI=1S/C21H32N2O4/c1-15(2)23-10-7-18(8-11-23)27-20-13-16(5-6-19(20)25-4)21(24)22(3)17-9-12-26-14-17/h5-6,13,15,17-18H,7-12,14H2,1-4H3
• InChIKey: BQHNVCSYDSDMSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-methyl-N-(oxolan-3-yl)-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 3-[(1-isopropylpiperidin-4-yl)oxy]-4-methoxy-N-methyl-N-(oxolan-3-yl)benzamide
• Synonyms: 3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxy-N-methyl-N-(tetrahydro-3-furanyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5180002
• LogD (pH = 7.4): 0.097795844
• Log P: 1.6573112
• Molar Refractivity: 106.0848 cm^3
• Polarizability: 41.061825 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.49
• LOG S: -1.58
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 4