N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-cyclopentanecarbonyl-N-methylpiperidine-4-carboxamide

• ChemBase ID: 687917
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c12c(non1)ccc(c2)CN(C(=O)C1CCN(C(=O)C2CCCC2)CC1)C
• Canonical SMILES: O=C(N(Cc1ccc2c(c1)non2)C)C1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C20H26N4O3/c1-23(13-14-6-7-17-18(12-14)22-27-21-17)19(25)16-8-10-24(11-9-16)20(26)15-4-2-3-5-15/h6-7,12,15-16H,2-5,8-11,13H2,1H3
• InChIKey: ULUOHLWPSDAPOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-cyclopentanecarbonyl-N-methylpiperidine-4-carboxamide
• IUPAC Traditional name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-cyclopentanecarbonyl-N-methylpiperidine-4-carboxamide
• Synonyms: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclopentylcarbonyl)-N-methyl-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8740124
• LogD (pH = 7.4): 1.8740133
• Log P: 1.8740133
• Molar Refractivity: 101.5474 cm^3
• Polarizability: 39.71593 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.0
• LOG S: -3.61
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 4