N-[4-(3-methylphenyl)phenyl]-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxamide

• ChemBase ID: 542881
• Molecular Formular: C24H28N2O3
• Molecular Mass: 392.49072
• Monoisotopic Mass: 392.20999277
• SMILES: C(=O)(N1CCC(C(=O)Nc2ccc(c3cc(ccc3)C)cc2)CC1)[C@@H]1OCCC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)[C@H]1CCCO1)Nc1ccc(cc1)c1cccc(c1)C
• InChI: InChI=1S/C24H28N2O3/c1-17-4-2-5-20(16-17)18-7-9-21(10-8-18)25-23(27)19-11-13-26(14-12-19)24(28)22-6-3-15-29-22/h2,4-5,7-10,16,19,22H,3,6,11-15H2,1H3,(H,25,27)/t22-/m1/s1
• InChIKey: HCHXNQVJRBDNSR-JOCHJYFZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-methylphenyl)phenyl]-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxamide
• IUPAC Traditional name: N-[4-(3-methylphenyl)phenyl]-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxamide
• Synonyms: N-(3'-methylbiphenyl-4-yl)-1-[(2R)-tetrahydrofuran-2-ylcarbonyl]piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.993863
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5287554
• LogD (pH = 7.4): 3.5287552
• Log P: 3.5287554
• Molar Refractivity: 114.8356 cm^3
• Polarizability: 44.94176 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.28
• LOG S: -4.86
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4