4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

• ChemBase ID: 350261
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: N1(CC2(OCC1)CNCCOC2)C1CCN(c2cc3c(cc2)CCC3)CC1
• Canonical SMILES: C1CNCC2(CO1)OCCN(C2)C1CCN(CC1)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C22H33N3O2/c1-2-18-4-5-21(14-19(18)3-1)24-9-6-20(7-10-24)25-11-13-27-22(16-25)15-23-8-12-26-17-22/h4-5,14,20,23H,1-3,6-13,15-17H2
• InChIKey: PVIOCCYTKXWBQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
• IUPAC Traditional name: 4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
• Synonyms: 4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.057086
• LogD (pH = 7.4): 0.43928227
• Log P: 2.2979128
• Molar Refractivity: 109.2521 cm^3
• Polarizability: 42.300465 Å^3
• Polar Surface Area: 36.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.4
• LOG S: -3.8
• Polar Surface Area: 36.97 Å^2
• Rotatable Bonds: 2