4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-(propan-2-yl)benzamide

• ChemBase ID: 340184
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: C(=O)(N(C(C)C)C)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
• Canonical SMILES: CC(N(C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)C)C
• InChI: InChI=1S/C20H28N2O3/c1-14(2)21(3)19(23)15-6-8-17(9-7-15)25-18-10-12-22(13-11-18)20(24)16-4-5-16/h6-9,14,16,18H,4-5,10-13H2,1-3H3
• InChIKey: KZENQUVODRPTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-(propan-2-yl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-isopropyl-N-methylbenzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-isopropyl-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9204463
• LogD (pH = 7.4): 1.9204466
• Log P: 1.9204466
• Molar Refractivity: 97.6819 cm^3
• Polarizability: 37.530052 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.68
• LOG S: -3.43
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4