N-(3-methoxyphenyl)-3-{1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl}propanamide

• ChemBase ID: 578349
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c1(CC(=O)N2CCC(CC2)CCC(=O)Nc2cc(OC)ccc2)nonc1C
• Canonical SMILES: COc1cccc(c1)NC(=O)CCC1CCN(CC1)C(=O)Cc1nonc1C
• InChI: InChI=1S/C20H26N4O4/c1-14-18(23-28-22-14)13-20(26)24-10-8-15(9-11-24)6-7-19(25)21-16-4-3-5-17(12-16)27-2/h3-5,12,15H,6-11,13H2,1-2H3,(H,21,25)
• InChIKey: VCZGKMJNZIINMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-3-{1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl}propanamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-3-{1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl}propanamide
• Synonyms: N-(3-methoxyphenyl)-3-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785154
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3403808
• LogD (pH = 7.4): 1.3403807
• Log P: 1.3403808
• Molar Refractivity: 105.8698 cm^3
• Polarizability: 39.46361 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.02
• LOG S: -3.81
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 6