2-methoxy-1-{4-[4-(1,2-oxazinane-2-carbonyl)phenoxy]piperidin-1-yl}ethan-1-one

• ChemBase ID: 570319
• Molecular Formular: C19H26N2O5
• Molecular Mass: 362.42014
• Monoisotopic Mass: 362.18417194
• SMILES: C(=O)(N1OCCCC1)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCCCO1
• InChI: InChI=1S/C19H26N2O5/c1-24-14-18(22)20-11-8-17(9-12-20)26-16-6-4-15(5-7-16)19(23)21-10-2-3-13-25-21/h4-7,17H,2-3,8-14H2,1H3
• InChIKey: AWTLSMDBNWQWBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1-{4-[4-(1,2-oxazinane-2-carbonyl)phenoxy]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-methoxy-1-{4-[4-(1,2-oxazinane-2-carbonyl)phenoxy]piperidin-1-yl}ethanone
• Synonyms: 2-(4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}benzoyl)-1,2-oxazinane

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.83546
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7500463
• LogD (pH = 7.4): 0.7500463
• Log P: 0.7500463
• Molar Refractivity: 96.4599 cm^3
• Polarizability: 37.122787 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.18
• LOG S: -1.48
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4