1-cycloheptyl-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one

• ChemBase ID: 410790
• Molecular Formular: C16H26N2O3
• Molecular Mass: 294.38924
• Monoisotopic Mass: 294.1943427
• SMILES: N1(CC(C(=O)N2OCCC2)CCC1=O)C1CCCCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCCCC1)N1CCCO1
• InChI: InChI=1S/C16H26N2O3/c19-15-9-8-13(16(20)18-10-5-11-21-18)12-17(15)14-6-3-1-2-4-7-14/h13-14H,1-12H2
• InChIKey: GYXPSAVIYFEAKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cycloheptyl-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
• IUPAC Traditional name: 1-cycloheptyl-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
• Synonyms: 1-cycloheptyl-5-(2-isoxazolidinylcarbonyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3910736
• LogD (pH = 7.4): 1.3910738
• Log P: 1.3910738
• Molar Refractivity: 79.3189 cm^3
• Polarizability: 31.14872 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 2

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -2.64
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 2