1-acetyl-N-[(2-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)piperidine-4-carboxamide

• ChemBase ID: 844123
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C(=O)(N(Cc1c(OC)cccc1)CC=C)C1CCN(C(=O)C)CC1
• Canonical SMILES: C=CCN(C(=O)C1CCN(CC1)C(=O)C)Cc1ccccc1OC
• InChI: InChI=1S/C19H26N2O3/c1-4-11-21(14-17-7-5-6-8-18(17)24-3)19(23)16-9-12-20(13-10-16)15(2)22/h4-8,16H,1,9-14H2,2-3H3
• InChIKey: MVFKRKIFHYWDOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-acetyl-N-[(2-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-acetyl-N-[(2-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)piperidine-4-carboxamide
• Synonyms: 1-acetyl-N-allyl-N-(2-methoxybenzyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.428635
• LogD (pH = 7.4): 1.4286356
• Log P: 1.4286356
• Molar Refractivity: 94.4953 cm^3
• Polarizability: 36.38784 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: 3
• H Donor: 0
• Log P: 0.32
• LOG S: -3.19
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6