N-[(3-methoxyphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide

• ChemBase ID: 661788
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: N1(C(CCC(=O)NCc2cc(OC)ccc2)CCCC1)C
• Canonical SMILES: COc1cccc(c1)CNC(=O)CCC1CCCCN1C
• InChI: InChI=1S/C17H26N2O2/c1-19-11-4-3-7-15(19)9-10-17(20)18-13-14-6-5-8-16(12-14)21-2/h5-6,8,12,15H,3-4,7,9-11,13H2,1-2H3,(H,18,20)
• InChIKey: IQMPXMGBHZKNFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methoxyphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
• IUPAC Traditional name: N-[(3-methoxyphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
• Synonyms: N-(3-methoxybenzyl)-3-(1-methyl-2-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.769352
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3002069
• LogD (pH = 7.4): -0.023045568
• Log P: 2.0874953
• Molar Refractivity: 85.134 cm^3
• Polarizability: 33.265423 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: 2.02
• LOG S: -3.04
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6