N-{[(3S,4S)-3-hydroxy-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl}cyclopentanecarboxamide

• ChemBase ID: 699853
• Molecular Formular: C17H26N4O4
• Molecular Mass: 350.41274
• Monoisotopic Mass: 350.19540533
• SMILES: c1(CC(=O)N2C[C@H]([C@H](CNC(=O)C3CCCC3)CC2)O)nonc1C
• Canonical SMILES: O[C@@H]1CN(CC[C@H]1CNC(=O)C1CCCC1)C(=O)Cc1nonc1C
• InChI: InChI=1S/C17H26N4O4/c1-11-14(20-25-19-11)8-16(23)21-7-6-13(15(22)10-21)9-18-17(24)12-4-2-3-5-12/h12-13,15,22H,2-10H2,1H3,(H,18,24)/t13-,15+/m0/s1
• InChIKey: INIJSHYFPWEPLM-DZGCQCFKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[(3S,4S)-3-hydroxy-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl}cyclopentanecarboxamide
• IUPAC Traditional name: N-{[(3S,4S)-3-hydroxy-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]methyl}cyclopentanecarboxamide
• Synonyms: N-({(3S*,4S*)-3-hydroxy-1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl}methyl)cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.397443
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5163191
• LogD (pH = 7.4): -0.51631886
• Log P: -0.5163188
• Molar Refractivity: 91.0788 cm^3
• Polarizability: 34.67969 Å^3
• Polar Surface Area: 108.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.85
• LOG S: -2.34
• Polar Surface Area: 108.56 Å^2
• Rotatable Bonds: 5