N-(2-methoxyethyl)-2-(4-phenylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase ID: 753636
• Molecular Formular: C21H28N2O2S
• Molecular Mass: 372.52422
• Monoisotopic Mass: 372.18714915
• SMILES: C(=O)(N(Cc1cscc1)CCOC)CN1CCC(CC1)c1ccccc1
• Canonical SMILES: COCCN(C(=O)CN1CCC(CC1)c1ccccc1)Cc1cscc1
• InChI: InChI=1S/C21H28N2O2S/c1-25-13-12-23(15-18-9-14-26-17-18)21(24)16-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-6,9,14,17,20H,7-8,10-13,15-16H2,1H3
• InChIKey: FIARSFOAXBXIDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-(4-phenylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-(4-phenylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: N-(2-methoxyethyl)-2-(4-phenyl-1-piperidinyl)-N-(3-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Log P: 3.037691
• Molar Refractivity: 107.2358 cm^3
• Polarizability: 41.44601 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.92437685
• LogD (pH = 7.4): 2.608036

供应商提供(Chembridge)

• Log P: 3.09
• LOG S: -4.55
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• H Acceptors: 3
• H Donor: 0