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

• ChemBase ID: 574842
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: N1(C2CCN(CC2)CCCc2ccccc2)CCC(C(=O)NCC=C)CC1
• Canonical SMILES: C=CCNC(=O)C1CCN(CC1)C1CCN(CC1)CCCc1ccccc1
• InChI: InChI=1S/C23H35N3O/c1-2-14-24-23(27)21-10-18-26(19-11-21)22-12-16-25(17-13-22)15-6-9-20-7-4-3-5-8-20/h2-5,7-8,21-22H,1,6,9-19H2,(H,24,27)
• InChIKey: OUEYMHMSMSTXNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.904809
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5949075
• LogD (pH = 7.4): -0.07732526
• Log P: 2.8957725
• Molar Refractivity: 113.6713 cm^3
• Polarizability: 44.154568 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: 1.86
• LOG S: -3.28
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 8