N,N-dimethyl-3-[1-(2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonyl)piperidin-3-yl]propanamide

• ChemBase ID: 427708
• Molecular Formular: C22H27N3O3
• Molecular Mass: 381.46808
• Monoisotopic Mass: 381.20524174
• SMILES: c1(C(=O)N2CC(CCC(=O)N(C)C)CCC2)c(=O)[nH]c(cc1)c1ccccc1
• Canonical SMILES: O=C(N(C)C)CCC1CCCN(C1)C(=O)c1ccc([nH]c1=O)c1ccccc1
• InChI: InChI=1S/C22H27N3O3/c1-24(2)20(26)13-10-16-7-6-14-25(15-16)22(28)18-11-12-19(23-21(18)27)17-8-4-3-5-9-17/h3-5,8-9,11-12,16H,6-7,10,13-15H2,1-2H3,(H,23,27)
• InChIKey: PFIKJBRHELBEBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[1-(2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N,N-dimethyl-3-[1-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]propanamide
• Synonyms: N,N-dimethyl-3-{1-[(2-oxo-6-phenyl-1,2-dihydro-3-pyridinyl)carbonyl]-3-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.10916
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.96705294
• LogD (pH = 7.4): 0.9663122
• Log P: 0.96706307
• Molar Refractivity: 110.5149 cm^3
• Polarizability: 41.54929 Å^3
• Polar Surface Area: 69.72 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: 0.89
• LOG S: -2.74
• Polar Surface Area: 73.48 Å^2
• Rotatable Bonds: 5