4-[3-(3-methoxypiperidine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 391064
• Molecular Formular: C20H31N3O5S
• Molecular Mass: 425.54224
• Monoisotopic Mass: 425.19844211
• SMILES: S(=O)(=O)(N1CCC(Oc2cc(C(=O)N3CC(OC)CCC3)ccc2)CC1)N(C)C
• Canonical SMILES: COC1CCCN(C1)C(=O)c1cccc(c1)OC1CCN(CC1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C20H31N3O5S/c1-21(2)29(25,26)23-12-9-17(10-13-23)28-18-7-4-6-16(14-18)20(24)22-11-5-8-19(15-22)27-3/h4,6-7,14,17,19H,5,8-13,15H2,1-3H3
• InChIKey: FUFZLMWAIYKVHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-methoxypiperidine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 4-[3-(3-methoxypiperidine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 4-{3-[(3-methoxy-1-piperidinyl)carbonyl]phenoxy}-N,N-dimethyl-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.27219155
• LogD (pH = 7.4): 0.27219298
• Log P: 0.272193
• Molar Refractivity: 111.5391 cm^3
• Polarizability: 43.90226 Å^3
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.54
• LOG S: -4.14
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 3