4-{1-[1-(3-methoxypropyl)piperidin-4-yl]piperidine-3-carbonyl}morpholine

• ChemBase ID: 556004
• Molecular Formular: C19H35N3O3
• Molecular Mass: 353.4995
• Monoisotopic Mass: 353.267842
• SMILES: C(=O)(C1CN(C2CCN(CC2)CCCOC)CCC1)N1CCOCC1
• Canonical SMILES: COCCCN1CCC(CC1)N1CCCC(C1)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H35N3O3/c1-24-13-3-7-20-9-5-18(6-10-20)22-8-2-4-17(16-22)19(23)21-11-14-25-15-12-21/h17-18H,2-16H2,1H3
• InChIKey: BKVJKLFNJXRNOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -5.6402307
• LogD (pH = 7.4): -3.2139974
• Log P: -0.119113006
• Molar Refractivity: 100.2661 cm^3
• Polarizability: 39.18786 Å^3
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.14
• LOG S: -2.75
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 6