N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(1,2-oxazinan-2-yl)-N-(propan-2-yl)propanamide

• ChemBase ID: 777391
• Molecular Formular: C18H35N3O2
• Molecular Mass: 325.4894
• Monoisotopic Mass: 325.27292738
• SMILES: C(=O)(N(CCN1CCC(CC1)C)C(C)C)CCN1OCCCC1
• Canonical SMILES: CC1CCN(CC1)CCN(C(=O)CCN1CCCCO1)C(C)C
• InChI: InChI=1S/C18H35N3O2/c1-16(2)21(14-13-19-10-6-17(3)7-11-19)18(22)8-12-20-9-4-5-15-23-20/h16-17H,4-15H2,1-3H3
• InChIKey: NOQYXIGINATBPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(1,2-oxazinan-2-yl)-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-isopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5710498
• LogD (pH = 7.4): 0.11685892
• Log P: 1.4938502
• Molar Refractivity: 94.758 cm^3
• Polarizability: 37.377426 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.71
• LOG S: -4.74
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 7