N3,N3-bis(furan-2-ylmethyl)-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 817240
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: C(=O)(N1CC(C(=O)N(Cc2occc2)Cc2occc2)CCC1)N(C)C
• Canonical SMILES: O=C(N(Cc1ccco1)Cc1ccco1)C1CCCN(C1)C(=O)N(C)C
• InChI: InChI=1S/C19H25N3O4/c1-20(2)19(24)21-9-3-6-15(12-21)18(23)22(13-16-7-4-10-25-16)14-17-8-5-11-26-17/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3
• InChIKey: BEURUUFKQQYDRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3,N3-bis(furan-2-ylmethyl)-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3,N3-bis(furan-2-ylmethyl)-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~,N~3~-bis(2-furylmethyl)-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9697373
• LogD (pH = 7.4): 0.9697375
• Log P: 0.9697375
• Molar Refractivity: 96.5799 cm^3
• Polarizability: 36.780033 Å^3
• Polar Surface Area: 70.14 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: 1.59
• LOG S: -3.18
• Polar Surface Area: 70.14 Å^2
• Rotatable Bonds: 5