N-(2-methoxyethyl)-1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}piperidine-3-carboxamide

• ChemBase ID: 772239
• Molecular Formular: C19H33N5O2
• Molecular Mass: 363.49762
• Monoisotopic Mass: 363.26342532
• SMILES: c1(cn(nc1)C)CN1CCC(N2CC(C(=O)NCCOC)CCC2)CC1
• Canonical SMILES: COCCNC(=O)C1CCCN(C1)C1CCN(CC1)Cc1cnn(c1)C
• InChI: InChI=1S/C19H33N5O2/c1-22-13-16(12-21-22)14-23-9-5-18(6-10-23)24-8-3-4-17(15-24)19(25)20-7-11-26-2/h12-13,17-18H,3-11,14-15H2,1-2H3,(H,20,25)
• InChIKey: WUAUPIKPLBHXHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}piperidine-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-1-{1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl}piperidine-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-1'-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.832292
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.492448
• LogD (pH = 7.4): -2.7150488
• Log P: -0.031915184
• Molar Refractivity: 114.9455 cm^3
• Polarizability: 40.01812 Å^3
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.28
• LOG S: -2.92
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 7