4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

• ChemBase ID: 705357
• Molecular Formular: C21H27N3O5
• Molecular Mass: 401.45618
• Monoisotopic Mass: 401.19507098
• SMILES: C1(=O)N(CCNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CCO1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCN1CCOC1=O)C1CC1
• InChI: InChI=1S/C21H27N3O5/c25-19(22-9-12-24-13-14-28-21(24)27)15-3-5-17(6-4-15)29-18-7-10-23(11-8-18)20(26)16-1-2-16/h3-6,16,18H,1-2,7-14H2,(H,22,25)
• InChIKey: CZWOKOVZPPODQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.046407
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6166922
• LogD (pH = 7.4): 0.61669266
• Log P: 0.61669266
• Molar Refractivity: 105.5627 cm^3
• Polarizability: 40.61618 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.2
• LOG S: -3.82
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 7