N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-(prop-2-en-1-yloxy)benzamide

• ChemBase ID: 497347
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C(=O)(N(C1CN(CCc2ccccc2)CCC1)C)c1cc(OCC=C)ccc1
• Canonical SMILES: C=CCOc1cccc(c1)C(=O)N(C1CCCN(C1)CCc1ccccc1)C
• InChI: InChI=1S/C24H30N2O2/c1-3-17-28-23-13-7-11-21(18-23)24(27)25(2)22-12-8-15-26(19-22)16-14-20-9-5-4-6-10-20/h3-7,9-11,13,18,22H,1,8,12,14-17,19H2,2H3
• InChIKey: RSZADRPENHUYSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-(prop-2-en-1-yloxy)benzamide
• IUPAC Traditional name: N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-(prop-2-en-1-yloxy)benzamide
• Synonyms: 3-(allyloxy)-N-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4659511
• LogD (pH = 7.4): 3.2170205
• Log P: 4.34216
• Molar Refractivity: 115.1536 cm^3
• Polarizability: 44.189297 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.78
• LOG S: -4.42
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8