N-phenyl-3-[3-(propan-2-yloxy)benzoyl]piperidine-1-carboxamide

• ChemBase ID: 837657
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: C(=O)(N1CC(C(=O)c2cc(OC(C)C)ccc2)CCC1)Nc1ccccc1
• Canonical SMILES: CC(Oc1cccc(c1)C(=O)C1CCCN(C1)C(=O)Nc1ccccc1)C
• InChI: InChI=1S/C22H26N2O3/c1-16(2)27-20-12-6-8-17(14-20)21(25)18-9-7-13-24(15-18)22(26)23-19-10-4-3-5-11-19/h3-6,8,10-12,14,16,18H,7,9,13,15H2,1-2H3,(H,23,26)
• InChIKey: MTNRSEOIZVTJPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-3-[3-(propan-2-yloxy)benzoyl]piperidine-1-carboxamide
• IUPAC Traditional name: 3-(3-isopropoxybenzoyl)-N-phenylpiperidine-1-carboxamide
• Synonyms: 3-(3-isopropoxybenzoyl)-N-phenyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.419785
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9237316
• LogD (pH = 7.4): 3.9237313
• Log P: 3.9237316
• Molar Refractivity: 107.0667 cm^3
• Polarizability: 40.667942 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.05
• LOG S: -5.44
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4