N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butanamide

• ChemBase ID: 403344
• Molecular Formular: C20H33F3N2O2
• Molecular Mass: 390.4834296
• Monoisotopic Mass: 390.24941297
• SMILES: N(C(=O)CCC(F)(F)F)(CC1OCCC1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(N(CC1CCCO1)CC1CCN(CC1)C1CCCC1)CCC(F)(F)F
• InChI: InChI=1S/C20H33F3N2O2/c21-20(22,23)10-7-19(26)25(15-18-6-3-13-27-18)14-16-8-11-24(12-9-16)17-4-1-2-5-17/h16-18H,1-15H2
• InChIKey: MSNSRSLMSAENRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butanamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butanamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-4,4,4-trifluoro-N-(tetrahydro-2-furanylmethyl)butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.44153577
• LogD (pH = 7.4): 0.5124486
• Log P: 3.0130277
• Molar Refractivity: 99.2075 cm^3
• Polarizability: 38.038567 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -3.67
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7