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

• ChemBase ID: 767220
• Molecular Formular: C24H37N3O
• Molecular Mass: 383.57008
• Monoisotopic Mass: 383.29366282
• SMILES: N1(C2CCN(CC2)CCCc2ccccc2)CCC(C(=O)NCC(=C)C)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)CCCc1ccccc1)NCC(=C)C
• InChI: InChI=1S/C24H37N3O/c1-20(2)19-25-24(28)22-10-17-27(18-11-22)23-12-15-26(16-13-23)14-6-9-21-7-4-3-5-8-21/h3-5,7-8,22-23H,1,6,9-19H2,2H3,(H,25,28)
• InChIKey: RQDTYJGNVCUSND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylprop-2-en-1-yl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
• IUPAC Traditional name: N-(2-methylprop-2-en-1-yl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
• Synonyms: N-(2-methyl-2-propen-1-yl)-1'-(3-phenylpropyl)-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.931794
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3515463
• LogD (pH = 7.4): 0.16603601
• Log P: 3.1391337
• Molar Refractivity: 117.9533 cm^3
• Polarizability: 46.000313 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.26
• LOG S: -3.84
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 8