N-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidin-3-amine

• ChemBase ID: 497699
• Molecular Formular: C24H26N2O4
• Molecular Mass: 406.47424
• Monoisotopic Mass: 406.18925732
• SMILES: c1(C(=O)N2CC(Nc3ccc(cc3)OC)CCC2)oc(cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC1CCCN(C1)C(=O)c1ccc(o1)c1ccc(cc1)OC
• InChI: InChI=1S/C24H26N2O4/c1-28-20-9-5-17(6-10-20)22-13-14-23(30-22)24(27)26-15-3-4-19(16-26)25-18-7-11-21(29-2)12-8-18/h5-14,19,25H,3-4,15-16H2,1-2H3
• InChIKey: NLTCRTIFKMWSPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidin-3-amine
• IUPAC Traditional name: N-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidin-3-amine
• Synonyms: N-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-2-furoyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9599504
• LogD (pH = 7.4): 3.3163068
• Log P: 3.3234324
• Molar Refractivity: 116.7548 cm^3
• Polarizability: 45.230732 Å^3
• Polar Surface Area: 63.94 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: 4.36
• LOG S: -5.73
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 4