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

• ChemBase ID: 544803
• Molecular Formular: C19H25ClN4O3
• Molecular Mass: 392.8798
• Monoisotopic Mass: 392.16151836
• SMILES: n1c(onc1C)CN1CC(CCC(=O)Nc2cc(c(cc2)OC)Cl)CCC1
• Canonical SMILES: COc1ccc(cc1Cl)NC(=O)CCC1CCCN(C1)Cc1onc(n1)C
• InChI: InChI=1S/C19H25ClN4O3/c1-13-21-19(27-23-13)12-24-9-3-4-14(11-24)5-8-18(25)22-15-6-7-17(26-2)16(20)10-15/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,22,25)
• InChIKey: LWZXFVYIAVWBHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.42627
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4067187
• LogD (pH = 7.4): 2.8315408
• Log P: 3.0049827
• Molar Refractivity: 106.1945 cm^3
• Polarizability: 39.82108 Å^3
• Polar Surface Area: 80.49 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: 2.69
• LOG S: -4.36
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7