1-(dimethyl-1,3-oxazole-5-carbonyl)-4-(piperidin-1-yl)piperidine-4-carboxamide

• ChemBase ID: 455116
• Molecular Formular: C17H26N4O3
• Molecular Mass: 334.41334
• Monoisotopic Mass: 334.20049071
• SMILES: c1(C(=O)N2CCC(N3CCCCC3)(C(=O)N)CC2)c(nc(o1)C)C
• Canonical SMILES: O=C(c1oc(nc1C)C)N1CCC(CC1)(N1CCCCC1)C(=O)N
• InChI: InChI=1S/C17H26N4O3/c1-12-14(24-13(2)19-12)15(22)20-10-6-17(7-11-20,16(18)23)21-8-4-3-5-9-21/h3-11H2,1-2H3,(H2,18,23)
• InChIKey: XGXYPJLXNLYUKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,3-oxazole-5-carbonyl)-4-(piperidin-1-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(dimethyl-1,3-oxazole-5-carbonyl)-4-(piperidin-1-yl)piperidine-4-carboxamide
• Synonyms: 1'-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-1,4'-bipiperidine-4'-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.33459
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2895448
• LogD (pH = 7.4): -1.5270237
• Log P: -0.83607423
• Molar Refractivity: 90.0886 cm^3
• Polarizability: 34.271896 Å^3
• Polar Surface Area: 92.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.16
• LOG S: -1.96
• Polar Surface Area: 92.67 Å^2
• Rotatable Bonds: 3