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

• ChemBase ID: 722060
• Molecular Formular: C18H22N2OS
• Molecular Mass: 314.44508
• Monoisotopic Mass: 314.14528433
• SMILES: N1(CC(c2ccccc2)CCC1)CC(=O)NCc1sccc1
• Canonical SMILES: O=C(CN1CCCC(C1)c1ccccc1)NCc1cccs1
• InChI: InChI=1S/C18H22N2OS/c21-18(19-12-17-9-5-11-22-17)14-20-10-4-8-16(13-20)15-6-2-1-3-7-15/h1-3,5-7,9,11,16H,4,8,10,12-14H2,(H,19,21)
• InChIKey: IODLFWHOLDKLHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.547625
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1501993
• LogD (pH = 7.4): 2.7565227
• Log P: 3.0713837
• Molar Refractivity: 91.0027 cm^3
• Polarizability: 35.23234 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.44
• LOG S: -4.43
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5