1-[3-(morpholin-4-yl)propyl]-5-(1,2-oxazinane-2-carbonyl)piperidin-2-one

• ChemBase ID: 577843
• Molecular Formular: C17H29N3O4
• Molecular Mass: 339.42986
• Monoisotopic Mass: 339.21580642
• SMILES: C(=O)(C1CN(C(=O)CC1)CCCN1CCOCC1)N1OCCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCN1CCOCC1)N1CCCCO1
• InChI: InChI=1S/C17H29N3O4/c21-16-5-4-15(17(22)20-8-1-2-11-24-20)14-19(16)7-3-6-18-9-12-23-13-10-18/h15H,1-14H2
• InChIKey: PFGFYJZHDSNVFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(morpholin-4-yl)propyl]-5-(1,2-oxazinane-2-carbonyl)piperidin-2-one
• IUPAC Traditional name: 1-[3-(morpholin-4-yl)propyl]-5-(1,2-oxazinane-2-carbonyl)piperidin-2-one
• Synonyms: 1-[3-(4-morpholinyl)propyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.8894303
• LogD (pH = 7.4): -0.5947383
• Log P: -0.47529888
• Molar Refractivity: 90.3073 cm^3
• Polarizability: 35.2345 Å^3
• Polar Surface Area: 62.32 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: 1.08
• LOG S: 0.72
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 5