N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 399546
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(C(=O)N(CC2CCN(Cc3ccccc3)CC2)C)cc(=O)n(cc1)CC
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)N(CC1CCN(CC1)Cc1ccccc1)C
• InChI: InChI=1S/C22H29N3O2/c1-3-25-14-11-20(15-21(25)26)22(27)23(2)16-19-9-12-24(13-10-19)17-18-7-5-4-6-8-18/h4-8,11,14-15,19H,3,9-10,12-13,16-17H2,1-2H3
• InChIKey: HXIWABDNZDHFBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxopyridine-4-carboxamide
• Synonyms: N-[(1-benzyl-4-piperidinyl)methyl]-1-ethyl-N-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3101008
• LogD (pH = 7.4): 0.28892422
• Log P: 1.8846893
• Molar Refractivity: 110.1871 cm^3
• Polarizability: 41.79803 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.51
• LOG S: -3.17
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 6