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

• ChemBase ID: 583520
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: C(=O)(N(Cc1c(OC)cccc1)CC=C)C1(CCNCC1)C
• Canonical SMILES: C=CCN(C(=O)C1(C)CCNCC1)Cc1ccccc1OC
• InChI: InChI=1S/C18H26N2O2/c1-4-13-20(14-15-7-5-6-8-16(15)22-3)17(21)18(2)9-11-19-12-10-18/h4-8,19H,1,9-14H2,2-3H3
• InChIKey: KGAJWZIXXOOYOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.85021114
• LogD (pH = 7.4): -0.24560942
• Log P: 2.3747077
• Molar Refractivity: 89.4304 cm^3
• Polarizability: 34.87007 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.79
• LOG S: -2.93
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6