N-ethyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-N-methylacetamide

• ChemBase ID: 541084
• Molecular Formular: C22H28N2O3
• Molecular Mass: 368.46932
• Monoisotopic Mass: 368.20999277
• SMILES: C(=O)(CN1CC(C(=O)c2cc3c(cc(cc3)OC)cc2)CCC1)N(CC)C
• Canonical SMILES: CCN(C(=O)CN1CCCC(C1)C(=O)c1ccc2c(c1)ccc(c2)OC)C
• InChI: InChI=1S/C22H28N2O3/c1-4-23(2)21(25)15-24-11-5-6-19(14-24)22(26)18-8-7-17-13-20(27-3)10-9-16(17)12-18/h7-10,12-13,19H,4-6,11,14-15H2,1-3H3
• InChIKey: SNOVMGIJHODRFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-N-methylacetamide
• IUPAC Traditional name: N-ethyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-N-methylacetamide
• Synonyms: N-ethyl-2-[3-(6-methoxy-2-naphthoyl)piperidin-1-yl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.418993
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.88062924
• LogD (pH = 7.4): 2.3059828
• Log P: 2.480433
• Molar Refractivity: 107.3953 cm^3
• Polarizability: 42.679436 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.26
• LOG S: -4.67
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6