N-(3-phenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 524055
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: C12(C(C1)C(=O)NCCCc1ccccc1)CCN(Cc1cnccc1)CC2
• Canonical SMILES: O=C(C1CC21CCN(CC2)Cc1cccnc1)NCCCc1ccccc1
• InChI: InChI=1S/C23H29N3O/c27-22(25-13-5-8-19-6-2-1-3-7-19)21-16-23(21)10-14-26(15-11-23)18-20-9-4-12-24-17-20/h1-4,6-7,9,12,17,21H,5,8,10-11,13-16,18H2,(H,25,27)
• InChIKey: VOAMDYORRWVIOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-phenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-(3-phenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-(3-phenylpropyl)-6-(3-pyridinylmethyl)-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.753708
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.06481271
• LogD (pH = 7.4): 1.8376329
• Log P: 2.7678576
• Molar Refractivity: 108.7347 cm^3
• Polarizability: 42.417538 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.06
• LOG S: -3.76
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7