3-{4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl}-N,N-dimethylpiperidine-1-carboxamide

• ChemBase ID: 565299
• Molecular Formular: C20H31N5O3
• Molecular Mass: 389.49184
• Monoisotopic Mass: 389.24268988
• SMILES: n1c(onc1CC1CCN(C(=O)C2CN(C(=O)N(C)C)CCC2)CC1)C1CC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)N1CCC(CC1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C20H31N5O3/c1-23(2)20(27)25-9-3-4-16(13-25)19(26)24-10-7-14(8-11-24)12-17-21-18(28-22-17)15-5-6-15/h14-16H,3-13H2,1-2H3
• InChIKey: FETIREOMLJRFPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl}-N,N-dimethylpiperidine-1-carboxamide
• IUPAC Traditional name: 3-{4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl}-N,N-dimethylpiperidine-1-carboxamide
• Synonyms: 3-({4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-piperidinyl}carbonyl)-N,N-dimethyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2414904
• LogD (pH = 7.4): 1.2414913
• Log P: 1.2414913
• Molar Refractivity: 106.0246 cm^3
• Polarizability: 39.86641 Å^3
• Polar Surface Area: 82.78 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: 0.53
• LOG S: -2.49
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 4