N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide

• ChemBase ID: 655228
• Molecular Formular: C19H24N2OS
• Molecular Mass: 328.47166
• Monoisotopic Mass: 328.1609344
• SMILES: C(=O)(c1cscc1)N(C1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1cscc1)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C19H24N2OS/c1-20(19(22)17-10-13-23-15-17)18-8-5-11-21(14-18)12-9-16-6-3-2-4-7-16/h2-4,6-7,10,13,15,18H,5,8-9,11-12,14H2,1H3
• InChIKey: AKSOMMXJJMZYOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
• Synonyms: N-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]-3-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7516845
• LogD (pH = 7.4): 2.5159733
• Log P: 3.5490236
• Molar Refractivity: 96.6335 cm^3
• Polarizability: 36.869823 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.56
• LOG S: -3.59
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5