4-[1-(1-{furo[3,2-c]pyridin-4-yl}piperidin-4-yl)piperidine-3-carbonyl]morpholine

• ChemBase ID: 412340
• Molecular Formular: C22H30N4O3
• Molecular Mass: 398.4986
• Monoisotopic Mass: 398.23179084
• SMILES: c1(c2c(occ2)ccn1)N1CCC(N2CC(C(=O)N3CCOCC3)CCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN(C1)C1CCN(CC1)c1nccc2c1cco2
• InChI: InChI=1S/C22H30N4O3/c27-22(25-11-14-28-15-12-25)17-2-1-8-26(16-17)18-4-9-24(10-5-18)21-19-6-13-29-20(19)3-7-23-21/h3,6-7,13,17-18H,1-2,4-5,8-12,14-16H2
• InChIKey: KGRYDGHSQBYEON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(1-{furo[3,2-c]pyridin-4-yl}piperidin-4-yl)piperidine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[1-(1-{furo[3,2-c]pyridin-4-yl}piperidin-4-yl)piperidine-3-carbonyl]morpholine
• Synonyms: 1'-furo[3,2-c]pyridin-4-yl-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.2966166
• LogD (pH = 7.4): -0.9313548
• Log P: 1.2949315
• Molar Refractivity: 111.8534 cm^3
• Polarizability: 43.81552 Å^3
• Polar Surface Area: 62.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.89
• LOG S: -3.72
• Polar Surface Area: 62.05 Å^2
• Rotatable Bonds: 3