N-[1-({1-[(dimethyl-1,2-oxazol-4-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)piperidin-4-yl]acetamide

• ChemBase ID: 795433
• Molecular Formular: C19H30N4O2
• Molecular Mass: 346.4671
• Monoisotopic Mass: 346.23687622
• SMILES: c1(c(onc1C)C)CN1CC(=CCC1)CN1CCC(NC(=O)C)CC1
• Canonical SMILES: CC(=O)NC1CCN(CC1)CC1=CCCN(C1)Cc1c(C)noc1C
• InChI: InChI=1S/C19H30N4O2/c1-14-19(15(2)25-21-14)13-23-8-4-5-17(12-23)11-22-9-6-18(7-10-22)20-16(3)24/h5,18H,4,6-13H2,1-3H3,(H,20,24)
• InChIKey: IOORVEGWJVLUIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-({1-[(dimethyl-1,2-oxazol-4-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[1-({1-[(dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-2H-pyridin-3-yl}methyl)piperidin-4-yl]acetamide
• Synonyms: N-[1-({1-[(3,5-dimethylisoxazol-4-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)piperidin-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.93114
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.073212
• LogD (pH = 7.4): -1.4591124
• Log P: -0.04416754
• Molar Refractivity: 101.4976 cm^3
• Polarizability: 38.179203 Å^3
• Polar Surface Area: 61.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.59
• LOG S: -2.53
• Polar Surface Area: 61.61 Å^2
• Rotatable Bonds: 5