N-[2-(dimethylamino)ethyl]-4-(quinolin-5-yloxy)piperidine-4-carboxamide

• ChemBase ID: 753971
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: C1(Oc2c3c(nccc3)ccc2)(C(=O)NCCN(C)C)CCNCC1
• Canonical SMILES: CN(CCNC(=O)C1(CCNCC1)Oc1cccc2c1cccn2)C
• InChI: InChI=1S/C19H26N4O2/c1-23(2)14-13-22-18(24)19(8-11-20-12-9-19)25-17-7-3-6-16-15(17)5-4-10-21-16/h3-7,10,20H,8-9,11-14H2,1-2H3,(H,22,24)
• InChIKey: CPTVWHFZRQCWFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-4-(quinolin-5-yloxy)piperidine-4-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-4-(quinolin-5-yloxy)piperidine-4-carboxamide
• Synonyms: N-[2-(dimethylamino)ethyl]-4-(quinolin-5-yloxy)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.1793165
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -5.410633
• LogD (pH = 7.4): -2.5588202
• Log P: 0.7584958
• Molar Refractivity: 97.4613 cm^3
• Polarizability: 39.580982 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 2
• Log P: 1.24
• LOG S: -2.76