ethyl 2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate

• ChemBase ID: 534964
• Molecular Formular: C14H24N2O3
• Molecular Mass: 268.35196
• Monoisotopic Mass: 268.17869264
• SMILES: C(=O)(C1CN(CC(=O)OCC)CCC1)N1CCCC1
• Canonical SMILES: CCOC(=O)CN1CCCC(C1)C(=O)N1CCCC1
• InChI: InChI=1S/C14H24N2O3/c1-2-19-13(17)11-15-7-5-6-12(10-15)14(18)16-8-3-4-9-16/h12H,2-11H2,1H3
• InChIKey: RADGXJAUUGGHCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
• IUPAC Traditional name: ethyl 2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
• Synonyms: ethyl [3-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9562921
• LogD (pH = 7.4): 0.32957375
• Log P: 0.44607988
• Molar Refractivity: 72.9749 cm^3
• Polarizability: 28.577978 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -2.53
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5