N-(1-hydroxypropan-2-yl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

• ChemBase ID: 553205
• Molecular Formular: C23H37N3O2
• Molecular Mass: 387.55878
• Monoisotopic Mass: 387.28857744
• SMILES: C(=O)(NC(CO)C)C1CCN(C2CCN(CC2)CCCc2ccccc2)CC1
• Canonical SMILES: OCC(NC(=O)C1CCN(CC1)C1CCN(CC1)CCCc1ccccc1)C
• InChI: InChI=1S/C23H37N3O2/c1-19(18-27)24-23(28)21-9-16-26(17-10-21)22-11-14-25(15-12-22)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,19,21-22,27H,5,8-18H2,1H3,(H,24,28)
• InChIKey: ONMYUQUHBPCNTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-hydroxypropan-2-yl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
• IUPAC Traditional name: N-(1-hydroxypropan-2-yl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
• Synonyms: N-(2-hydroxy-1-methylethyl)-1'-(3-phenylpropyl)-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.021133
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.5996842
• LogD (pH = 7.4): -1.0821021
• Log P: 1.8909957
• Molar Refractivity: 115.2197 cm^3
• Polarizability: 44.989597 Å^3
• Polar Surface Area: 55.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.07
• LOG S: -2.64
• Polar Surface Area: 55.81 Å^2
• Rotatable Bonds: 8