1-cyclohexyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide

• ChemBase ID: 644156
• Molecular Formular: C17H28N4O2
• Molecular Mass: 320.42982
• Monoisotopic Mass: 320.22122616
• SMILES: c1(nonc1C)CN(C(=O)C1CN(C2CCCCC2)CCC1)C
• Canonical SMILES: O=C(N(Cc1nonc1C)C)C1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C17H28N4O2/c1-13-16(19-23-18-13)12-20(2)17(22)14-7-6-10-21(11-14)15-8-4-3-5-9-15/h14-15H,3-12H2,1-2H3
• InChIKey: LEVQKBWAGUTFQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
• Synonyms: 1-cyclohexyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0899286
• LogD (pH = 7.4): -1.3398262
• Log P: 1.3850281
• Molar Refractivity: 89.8983 cm^3
• Polarizability: 34.279068 Å^3
• Polar Surface Area: 62.47 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: 2.27
• LOG S: -3.48
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4