N-ethyl-1-(2-methoxyacetyl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 507031
• Molecular Formular: C17H30N2O4
• Molecular Mass: 326.4311
• Monoisotopic Mass: 326.22055745
• SMILES: C(=O)(C1CN(C(=O)COC)CCC1)N(CC1CCOCC1)CC
• Canonical SMILES: COCC(=O)N1CCCC(C1)C(=O)N(CC1CCOCC1)CC
• InChI: InChI=1S/C17H30N2O4/c1-3-18(11-14-6-9-23-10-7-14)17(21)15-5-4-8-19(12-15)16(20)13-22-2/h14-15H,3-13H2,1-2H3
• InChIKey: SSAVSEBKBXFLBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1-(2-methoxyacetyl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-ethyl-1-(2-methoxyacetyl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-ethyl-1-(methoxyacetyl)-N-(tetrahydro-2H-pyran-4-ylmethyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.830074
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.1090365
• LogD (pH = 7.4): -0.10903533
• Log P: -0.10903531
• Molar Refractivity: 88.5983 cm^3
• Polarizability: 34.422092 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.52
• LOG S: -2.02
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6