7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 865238
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: C12(C(=O)N(CCCc3ccccc3)CCC2)CN(Cc2ccncc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1ccncc1)CCCc1ccccc1
• InChI: InChI=1S/C23H29N3O/c27-22-23(12-17-25(19-23)18-21-9-13-24-14-10-21)11-5-16-26(22)15-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-10,13-14H,4-5,8,11-12,15-19H2
• InChIKey: OGCMXKFINKNLIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(3-phenylpropyl)-2-(4-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.19755359
• LogD (pH = 7.4): 1.2759881
• Log P: 3.1065822
• Molar Refractivity: 109.0253 cm^3
• Polarizability: 42.41728 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.83
• LOG S: -3.19
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6