N-{2-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl}acetamide

• ChemBase ID: 370373
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: C1(C(=O)c2ccc(Oc3ccccc3)cc2)CN(CCNC(=O)C)CCC1
• Canonical SMILES: CC(=O)NCCN1CCCC(C1)C(=O)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C22H26N2O3/c1-17(25)23-13-15-24-14-5-6-19(16-24)22(26)18-9-11-21(12-10-18)27-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,23,25)
• InChIKey: GSKUDWPBAKWROH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl}acetamide
• Synonyms: N-{2-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.504051
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8109399
• LogD (pH = 7.4): 2.3998687
• Log P: 2.6955767
• Molar Refractivity: 105.6675 cm^3
• Polarizability: 41.12954 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.29
• LOG S: -4.68
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7