1-(furan-2-ylmethyl)-N-methyl-N-[2-(pyridin-4-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 517673
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: C(=O)(C1CN(Cc2occc2)CCC1)N(CCc1ccncc1)C
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)N(CCc1ccncc1)C
• InChI: InChI=1S/C19H25N3O2/c1-21(12-8-16-6-9-20-10-7-16)19(23)17-4-2-11-22(14-17)15-18-5-3-13-24-18/h3,5-7,9-10,13,17H,2,4,8,11-12,14-15H2,1H3
• InChIKey: RUPNQXKNFGZIDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-methyl-N-[2-(pyridin-4-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-methyl-N-[2-(pyridin-4-yl)ethyl]piperidine-3-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4467958
• LogD (pH = 7.4): 0.39373708
• Log P: 1.6397787
• Molar Refractivity: 94.0458 cm^3
• Polarizability: 36.304005 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.24
• LOG S: -1.35
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6