1-{3-[2-(4-fluoropiperidin-1-yl)-2-oxoethyl]morpholin-4-yl}-3-(pyridin-3-yl)propan-1-one

• ChemBase ID: 677356
• Molecular Formular: C19H26FN3O3
• Molecular Mass: 363.4264432
• Monoisotopic Mass: 363.19581993
• SMILES: N1(C(CC(=O)N2CCC(CC2)F)COCC1)C(=O)CCc1cnccc1
• Canonical SMILES: FC1CCN(CC1)C(=O)CC1COCCN1C(=O)CCc1cccnc1
• InChI: InChI=1S/C19H26FN3O3/c20-16-5-8-22(9-6-16)19(25)12-17-14-26-11-10-23(17)18(24)4-3-15-2-1-7-21-13-15/h1-2,7,13,16-17H,3-6,8-12,14H2
• InChIKey: IMFFCLCJGZHYPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[2-(4-fluoropiperidin-1-yl)-2-oxoethyl]morpholin-4-yl}-3-(pyridin-3-yl)propan-1-one
• IUPAC Traditional name: 1-{3-[2-(4-fluoropiperidin-1-yl)-2-oxoethyl]morpholin-4-yl}-3-(pyridin-3-yl)propan-1-one
• Synonyms: 3-[2-(4-fluoro-1-piperidinyl)-2-oxoethyl]-4-[3-(3-pyridinyl)propanoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.20778847
• LogD (pH = 7.4): -0.11719879
• Log P: -0.11587659
• Molar Refractivity: 94.6018 cm^3
• Polarizability: 36.617676 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.71
• LOG S: -1.16
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5