5-methyl-N-propyl-2-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 537584
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(c(OC2CCN(Cc3ccncc3)CC2)ccc(c1)C)C(=O)NCCC
• Canonical SMILES: CCCNC(=O)c1cc(C)ccc1OC1CCN(CC1)Cc1ccncc1
• InChI: InChI=1S/C22H29N3O2/c1-3-10-24-22(26)20-15-17(2)4-5-21(20)27-19-8-13-25(14-9-19)16-18-6-11-23-12-7-18/h4-7,11-12,15,19H,3,8-10,13-14,16H2,1-2H3,(H,24,26)
• InChIKey: STQMAHZJRPINHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-propyl-2-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 5-methyl-N-propyl-2-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: 5-methyl-N-propyl-2-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198866
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3728685
• LogD (pH = 7.4): 2.1354322
• Log P: 2.8162494
• Molar Refractivity: 108.7169 cm^3
• Polarizability: 41.66778 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.51
• LOG S: -2.72
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7