5-(1,2-oxazinane-2-carbonyl)-1-[2-(pyridin-2-yl)ethyl]piperidin-2-one

• ChemBase ID: 738485
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: N1(C(=O)CCC(C(=O)N2OCCCC2)C1)CCc1ncccc1
• Canonical SMILES: O=C1CCC(CN1CCc1ccccn1)C(=O)N1CCCCO1
• InChI: InChI=1S/C17H23N3O3/c21-16-7-6-14(17(22)20-10-3-4-12-23-20)13-19(16)11-8-15-5-1-2-9-18-15/h1-2,5,9,14H,3-4,6-8,10-13H2
• InChIKey: JVZNYDBGBCUOPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1,2-oxazinane-2-carbonyl)-1-[2-(pyridin-2-yl)ethyl]piperidin-2-one
• IUPAC Traditional name: 5-(1,2-oxazinane-2-carbonyl)-1-[2-(pyridin-2-yl)ethyl]piperidin-2-one
• Synonyms: 5-(1,2-oxazinan-2-ylcarbonyl)-1-[2-(2-pyridinyl)ethyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.44590974
• LogD (pH = 7.4): 0.4892982
• Log P: 0.48988265
• Molar Refractivity: 84.9812 cm^3
• Polarizability: 33.20471 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.17
• LOG S: -1.8
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4