9-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 816470
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: N1(C(=O)CCC2(C1)CCN(CC2)CCCc1ccccc1)Cc1ccncc1
• Canonical SMILES: O=C1CCC2(CN1Cc1ccncc1)CCN(CC2)CCCc1ccccc1
• InChI: InChI=1S/C24H31N3O/c28-23-8-11-24(20-27(23)19-22-9-14-25-15-10-22)12-17-26(18-13-24)16-4-7-21-5-2-1-3-6-21/h1-3,5-6,9-10,14-15H,4,7-8,11-13,16-20H2
• InChIKey: ZPXFEUHJSITTNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4823724
• LogD (pH = 7.4): 0.8162303
• Log P: 3.0392165
• Molar Refractivity: 113.5745 cm^3
• Polarizability: 44.184856 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: 3.18
• LOG S: -3.37
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6