8-[1-(2-chlorophenyl)piperidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 614597
• Molecular Formular: C20H28ClN3O
• Molecular Mass: 361.90882
• Monoisotopic Mass: 361.19209021
• SMILES: N1(C(=O)CC2(C1)CCN(C1CCN(c3c(Cl)cccc3)CC1)CC2)C
• Canonical SMILES: O=C1CC2(CN1C)CCN(CC2)C1CCN(CC1)c1ccccc1Cl
• InChI: InChI=1S/C20H28ClN3O/c1-22-15-20(14-19(22)25)8-12-23(13-9-20)16-6-10-24(11-7-16)18-5-3-2-4-17(18)21/h2-5,16H,6-15H2,1H3
• InChIKey: RUCAURXEJRWEAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[1-(2-chlorophenyl)piperidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[1-(2-chlorophenyl)piperidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[1-(2-chlorophenyl)-4-piperidinyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2315043
• LogD (pH = 7.4): 0.058237344
• Log P: 2.152115
• Molar Refractivity: 103.3036 cm^3
• Polarizability: 39.665 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.28
• LOG S: -4.64
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 2