5-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}quinoxaline

• ChemBase ID: 534752
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: C(=O)(c1c2nccnc2ccc1)N1CC(CCc2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)CCC1CCCN(C1)C(=O)c1cccc2c1nccn2
• InChI: InChI=1S/C23H25N3O2/c1-28-19-7-2-5-17(15-19)10-11-18-6-4-14-26(16-18)23(27)20-8-3-9-21-22(20)25-13-12-24-21/h2-3,5,7-9,12-13,15,18H,4,6,10-11,14,16H2,1H3
• InChIKey: SCJSWBZBICELPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}quinoxaline
• IUPAC Traditional name: 5-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}quinoxaline
• Synonyms: 5-({3-[2-(3-methoxyphenyl)ethyl]-1-piperidinyl}carbonyl)quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6776762
• LogD (pH = 7.4): 3.6776798
• Log P: 3.6776798
• Molar Refractivity: 108.696 cm^3
• Polarizability: 43.107643 Å^3
• Polar Surface Area: 55.32 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: 3.62
• LOG S: -4.85
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 4