ethyl 2-{4-[3-(piperidine-1-carbonyl)pyridin-2-yl]piperazin-1-yl}acetate

• ChemBase ID: 725623
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: c1(C(=O)N2CCCCC2)c(N2CCN(CC(=O)OCC)CC2)nccc1
• Canonical SMILES: CCOC(=O)CN1CCN(CC1)c1ncccc1C(=O)N1CCCCC1
• InChI: InChI=1S/C19H28N4O3/c1-2-26-17(24)15-21-11-13-22(14-12-21)18-16(7-6-8-20-18)19(25)23-9-4-3-5-10-23/h6-8H,2-5,9-15H2,1H3
• InChIKey: QWKPIQCPRNHDTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{4-[3-(piperidine-1-carbonyl)pyridin-2-yl]piperazin-1-yl}acetate
• IUPAC Traditional name: ethyl 2-{4-[3-(piperidine-1-carbonyl)pyridin-2-yl]piperazin-1-yl}acetate
• Synonyms: ethyl {4-[3-(piperidin-1-ylcarbonyl)pyridin-2-yl]piperazin-1-yl}acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2525966
• LogD (pH = 7.4): 1.4315263
• Log P: 1.4342382
• Molar Refractivity: 101.3094 cm^3
• Polarizability: 38.199673 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.29
• LOG S: -2.93
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6