7-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 849950
• Molecular Formular: C23H31N3
• Molecular Mass: 349.51234
• Monoisotopic Mass: 349.25179801
• SMILES: N1(CC2(CN(CCCc3ccccc3)CCC2)CC1)Cc1cnccc1
• Canonical SMILES: c1ccc(cc1)CCCN1CCCC2(C1)CCN(C2)Cc1cccnc1
• InChI: InChI=1S/C23H31N3/c1-2-7-21(8-3-1)10-5-14-25-15-6-11-23(19-25)12-16-26(20-23)18-22-9-4-13-24-17-22/h1-4,7-9,13,17H,5-6,10-12,14-16,18-20H2
• InChIKey: SFRDLXKQUUCFRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5807267
• LogD (pH = 7.4): 0.84150195
• Log P: 3.7024555
• Molar Refractivity: 109.194 cm^3
• Polarizability: 42.710167 Å^3
• Polar Surface Area: 19.37 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: 4.03
• LOG S: -2.8
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 6