N-(2-methoxyethyl)-3-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}propanamide

• ChemBase ID: 709224
• Molecular Formular: C19H34N4O2
• Molecular Mass: 350.49886
• Monoisotopic Mass: 350.26817635
• SMILES: c1(c(n(nc1)CCC)C)CN1CCC(CCC(=O)NCCOC)CC1
• Canonical SMILES: CCCn1ncc(c1C)CN1CCC(CC1)CCC(=O)NCCOC
• InChI: InChI=1S/C19H34N4O2/c1-4-10-23-16(2)18(14-21-23)15-22-11-7-17(8-12-22)5-6-19(24)20-9-13-25-3/h14,17H,4-13,15H2,1-3H3,(H,20,24)
• InChIKey: GSLYKIZYRQRMJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}propanamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-{1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl}propanamide
• Synonyms: N-(2-methoxyethyl)-3-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.731601
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5356681
• LogD (pH = 7.4): 0.16640593
• Log P: 1.4974331
• Molar Refractivity: 113.2468 cm^3
• Polarizability: 39.137474 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.6
• LOG S: -3.17
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7