3-chloro-N-cyclopentyl-4-{[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 399011
• Molecular Formular: C21H25ClN4O4
• Molecular Mass: 432.9006
• Monoisotopic Mass: 432.15643298
• SMILES: c1(C(=O)N2CCC(Oc3c(cc(C(=O)NC4CCCC4)cc3)Cl)CC2)nonc1C
• Canonical SMILES: Clc1cc(ccc1OC1CCN(CC1)C(=O)c1nonc1C)C(=O)NC1CCCC1
• InChI: InChI=1S/C21H25ClN4O4/c1-13-19(25-30-24-13)21(28)26-10-8-16(9-11-26)29-18-7-6-14(12-17(18)22)20(27)23-15-4-2-3-5-15/h6-7,12,15-16H,2-5,8-11H2,1H3,(H,23,27)
• InChIKey: NWBGOPGAMXCNJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-cyclopentyl-4-{[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 3-chloro-N-cyclopentyl-4-{[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxy}benzamide
• Synonyms: 3-chloro-N-cyclopentyl-4-({1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}oxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.789038
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.062578
• LogD (pH = 7.4): 2.0625782
• Log P: 2.0625782
• Molar Refractivity: 112.6972 cm^3
• Polarizability: 42.131638 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.89
• LOG S: -5.89
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 5