N-(1,2-oxazol-5-ylmethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

• ChemBase ID: 765477
• Molecular Formular: C24H34N4O2
• Molecular Mass: 410.55236
• Monoisotopic Mass: 410.26817635
• SMILES: N1(C2CCN(CC2)CCCc2ccccc2)CCC(C(=O)NCc2oncc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)CCCc1ccccc1)NCc1ccno1
• InChI: InChI=1S/C24H34N4O2/c29-24(25-19-23-8-13-26-30-23)21-9-17-28(18-10-21)22-11-15-27(16-12-22)14-4-7-20-5-2-1-3-6-20/h1-3,5-6,8,13,21-22H,4,7,9-12,14-19H2,(H,25,29)
• InChIKey: NUGQMXMNXSOXCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2-oxazol-5-ylmethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
• IUPAC Traditional name: N-(1,2-oxazol-5-ylmethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
• Synonyms: N-(isoxazol-5-ylmethyl)-1'-(3-phenylpropyl)-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.519964
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3171368
• LogD (pH = 7.4): -0.7995455
• Log P: 2.1735423
• Molar Refractivity: 120.4407 cm^3
• Polarizability: 46.253838 Å^3
• Polar Surface Area: 61.61 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.3
• LOG S: -4.16
• Polar Surface Area: 61.61 Å^2
• Rotatable Bonds: 8