4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(3-methoxypropyl)benzamide

• ChemBase ID: 573657
• Molecular Formular: C20H30N2O5
• Molecular Mass: 378.4626
• Monoisotopic Mass: 378.21547207
• SMILES: N1(C(=O)CCOC)CCC(CC1)Oc1ccc(C(=O)NCCCOC)cc1
• Canonical SMILES: COCCCNC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)CCOC
• InChI: InChI=1S/C20H30N2O5/c1-25-14-3-11-21-20(24)16-4-6-17(7-5-16)27-18-8-12-22(13-9-18)19(23)10-15-26-2/h4-7,18H,3,8-15H2,1-2H3,(H,21,24)
• InChIKey: SRVPMPYYLMOZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(3-methoxypropyl)benzamide
• IUPAC Traditional name: 4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(3-methoxypropyl)benzamide
• Synonyms: 4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}-N-(3-methoxypropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.063174
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.21946642
• LogD (pH = 7.4): 0.21946679
• Log P: 0.2194668
• Molar Refractivity: 103.2803 cm^3
• Polarizability: 39.676037 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.62
• LOG S: -3.4
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 8