4-(4-chlorophenoxy)-N-(2-ethoxyethyl)piperidine-4-carboxamide

• ChemBase ID: 489510
• Molecular Formular: C16H23ClN2O3
• Molecular Mass: 326.81842
• Monoisotopic Mass: 326.13972029
• SMILES: C1(C(=O)NCCOCC)(Oc2ccc(Cl)cc2)CCNCC1
• Canonical SMILES: CCOCCNC(=O)C1(CCNCC1)Oc1ccc(cc1)Cl
• InChI: InChI=1S/C16H23ClN2O3/c1-2-21-12-11-19-15(20)16(7-9-18-10-8-16)22-14-5-3-13(17)4-6-14/h3-6,18H,2,7-12H2,1H3,(H,19,20)
• InChIKey: VGHFKXYGLHPPCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenoxy)-N-(2-ethoxyethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 4-(4-chlorophenoxy)-N-(2-ethoxyethyl)piperidine-4-carboxamide
• Synonyms: 4-(4-chlorophenoxy)-N-(2-ethoxyethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.529736
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6910853
• LogD (pH = 7.4): -0.6803166
• Log P: 1.4960737
• Molar Refractivity: 86.1178 cm^3
• Polarizability: 34.0005 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.01
• LOG S: -3.3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7