ethyl 2-[1-(1-cycloheptyl-6-oxopiperidin-3-yl)-N-methylformamido]acetate

• ChemBase ID: 402625
• Molecular Formular: C18H30N2O4
• Molecular Mass: 338.4418
• Monoisotopic Mass: 338.22055745
• SMILES: N1(CC(C(=O)N(CC(=O)OCC)C)CCC1=O)C1CCCCCC1
• Canonical SMILES: CCOC(=O)CN(C(=O)C1CCC(=O)N(C1)C1CCCCCC1)C
• InChI: InChI=1S/C18H30N2O4/c1-3-24-17(22)13-19(2)18(23)14-10-11-16(21)20(12-14)15-8-6-4-5-7-9-15/h14-15H,3-13H2,1-2H3
• InChIKey: OWMMHJQKDNRTCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[1-(1-cycloheptyl-6-oxopiperidin-3-yl)-N-methylformamido]acetate
• IUPAC Traditional name: ethyl 2-[1-(1-cycloheptyl-6-oxopiperidin-3-yl)-N-methylformamido]acetate
• Synonyms: ethyl N-[(1-cycloheptyl-6-oxo-3-piperidinyl)carbonyl]-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3322212
• LogD (pH = 7.4): 1.3322214
• Log P: 1.3322214
• Molar Refractivity: 90.6746 cm^3
• Polarizability: 35.643524 Å^3
• Polar Surface Area: 66.92 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: 2.9
• LOG S: -2.62
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4