7-(3-phenylpropyl)-2-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 515883
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: N1(C(=O)c2ccncc2)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CCCc1ccccc1)c1ccncc1
• InChI: InChI=1S/C23H29N3O/c27-22(21-9-13-24-14-10-21)26-17-12-23(19-26)11-5-16-25(18-23)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: VGWQFLKQLLXART-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-phenylpropyl)-2-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(3-phenylpropyl)-2-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-isonicotinoyl-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.30175123
• LogD (pH = 7.4): 1.0593768
• Log P: 3.059051
• Molar Refractivity: 109.5231 cm^3
• Polarizability: 42.121933 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.98
• LOG S: -4.36
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5