N-(3,4-dimethoxyphenyl)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-amine

• ChemBase ID: 549280
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: c1(C(=O)N2CC(Nc3cc(c(cc3)OC)OC)CCC2)c(cc(o1)C)C
• Canonical SMILES: COc1cc(ccc1OC)NC1CCCN(C1)C(=O)c1oc(cc1C)C
• InChI: InChI=1S/C20H26N2O4/c1-13-10-14(2)26-19(13)20(23)22-9-5-6-16(12-22)21-15-7-8-17(24-3)18(11-15)25-4/h7-8,10-11,16,21H,5-6,9,12H2,1-4H3
• InChIKey: DVGMYMBIHZYABI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-amine
• Synonyms: N-(3,4-dimethoxyphenyl)-1-(3,5-dimethyl-2-furoyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2857506
• LogD (pH = 7.4): 2.4663203
• Log P: 2.4691887
• Molar Refractivity: 101.932 cm^3
• Polarizability: 37.831306 Å^3
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.96
• LOG S: -4.4
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 3