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

• ChemBase ID: 637272
• Molecular Formular: C22H32N2O4
• Molecular Mass: 388.50048
• Monoisotopic Mass: 388.23620751
• SMILES: C(=O)(N(C(C)C)CCOC)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
• Canonical SMILES: COCCN(C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)C(C)C
• InChI: InChI=1S/C22H32N2O4/c1-16(2)24(14-15-27-3)22(26)18-6-8-19(9-7-18)28-20-10-12-23(13-11-20)21(25)17-4-5-17/h6-9,16-17,20H,4-5,10-15H2,1-3H3
• InChIKey: SMCDEKSGAPYSOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8734708
• LogD (pH = 7.4): 1.8734711
• Log P: 1.8734711
• Molar Refractivity: 108.7254 cm^3
• Polarizability: 41.913296 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.0
• LOG S: -2.92
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6