4-ethenyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 859366
• Molecular Formular: C23H34N2O3
• Molecular Mass: 386.52766
• Monoisotopic Mass: 386.25694296
• SMILES: N(C(=O)c1ccc(C=C)cc1)(CC1OCCC1)CC1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)CN(C(=O)c1ccc(cc1)C=C)CC1CCCO1
• InChI: InChI=1S/C23H34N2O3/c1-3-19-6-8-21(9-7-19)23(26)25(18-22-5-4-15-28-22)17-20-10-12-24(13-11-20)14-16-27-2/h3,6-9,20,22H,1,4-5,10-18H2,2H3
• InChIKey: QNZBGBSXHLQCDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: 4-ethenyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-4-vinylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.23880346
• LogD (pH = 7.4): 1.425915
• Log P: 2.8669608
• Molar Refractivity: 114.1834 cm^3
• Polarizability: 43.90968 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.92
• LOG S: -2.81
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8