N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrazin-2-yl)piperidin-3-yl]propanamide

• ChemBase ID: 523080
• Molecular Formular: C19H23ClN4O2
• Molecular Mass: 374.86452
• Monoisotopic Mass: 374.15095368
• SMILES: N1(c2nccnc2)CC(CCC(=O)Nc2cc(ccc2OC)Cl)CCC1
• Canonical SMILES: COc1ccc(cc1NC(=O)CCC1CCCN(C1)c1cnccn1)Cl
• InChI: InChI=1S/C19H23ClN4O2/c1-26-17-6-5-15(20)11-16(17)23-19(25)7-4-14-3-2-10-24(13-14)18-12-21-8-9-22-18/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,23,25)
• InChIKey: SNSDIZQDDXWFKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrazin-2-yl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrazin-2-yl)piperidin-3-yl]propanamide
• Synonyms: N-(5-chloro-2-methoxyphenyl)-3-[1-(2-pyrazinyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.302462
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9051993
• LogD (pH = 7.4): 2.9053056
• Log P: 2.9053123
• Molar Refractivity: 103.5126 cm^3
• Polarizability: 38.871952 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.17
• LOG S: -5.48
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5