N,N-diethyl-1-[2-(morpholin-4-yl)-6-phenylpyridine-3-carbonyl]piperidine-3-carboxamide

• ChemBase ID: 681187
• Molecular Formular: C26H34N4O3
• Molecular Mass: 450.57316
• Monoisotopic Mass: 450.26309097
• SMILES: c1(c(nc(cc1)c1ccccc1)N1CCOCC1)C(=O)N1CC(C(=O)N(CC)CC)CCC1
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C(=O)c1ccc(nc1N1CCOCC1)c1ccccc1)CC
• InChI: InChI=1S/C26H34N4O3/c1-3-28(4-2)25(31)21-11-8-14-30(19-21)26(32)22-12-13-23(20-9-6-5-7-10-20)27-24(22)29-15-17-33-18-16-29/h5-7,9-10,12-13,21H,3-4,8,11,14-19H2,1-2H3
• InChIKey: PCFUPWAMYWKCSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-[2-(morpholin-4-yl)-6-phenylpyridine-3-carbonyl]piperidine-3-carboxamide
• IUPAC Traditional name: N,N-diethyl-1-[2-(morpholin-4-yl)-6-phenylpyridine-3-carbonyl]piperidine-3-carboxamide
• Synonyms: N,N-diethyl-1-{[2-(4-morpholinyl)-6-phenyl-3-pyridinyl]carbonyl}-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1087837
• LogD (pH = 7.4): 3.1530902
• Log P: 3.153686
• Molar Refractivity: 130.6944 cm^3
• Polarizability: 50.5767 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.86
• LOG S: -4.25
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 4