1-(furan-2-carbonyl)-N-(1-phenoxypropan-2-yl)piperidin-4-amine

• ChemBase ID: 320864
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C(=O)(N1CCC(NC(COc2ccccc2)C)CC1)c1occc1
• Canonical SMILES: CC(NC1CCN(CC1)C(=O)c1ccco1)COc1ccccc1
• InChI: InChI=1S/C19H24N2O3/c1-15(14-24-17-6-3-2-4-7-17)20-16-9-11-21(12-10-16)19(22)18-8-5-13-23-18/h2-8,13,15-16,20H,9-12,14H2,1H3
• InChIKey: CTTIRRJORFJTFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)-N-(1-phenoxypropan-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(furan-2-carbonyl)-N-(1-phenoxypropan-2-yl)piperidin-4-amine
• Synonyms: 1-(2-furoyl)-N-(1-methyl-2-phenoxyethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1615219
• LogD (pH = 7.4): -0.22588746
• Log P: 2.0358677
• Molar Refractivity: 92.4481 cm^3
• Polarizability: 35.834393 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.53
• LOG S: -2.9
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6