N-(2-{3-[benzyl(methyl)amino]piperidine-1-carbonyl}thiophen-3-yl)acetamide

• ChemBase ID: 793680
• Molecular Formular: C20H25N3O2S
• Molecular Mass: 371.4964
• Monoisotopic Mass: 371.16674806
• SMILES: c1(C(=O)N2CC(N(Cc3ccccc3)C)CCC2)c(NC(=O)C)ccs1
• Canonical SMILES: CC(=O)Nc1ccsc1C(=O)N1CCCC(C1)N(Cc1ccccc1)C
• InChI: InChI=1S/C20H25N3O2S/c1-15(24)21-18-10-12-26-19(18)20(25)23-11-6-9-17(14-23)22(2)13-16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-14H2,1-2H3,(H,21,24)
• InChIKey: LQPQERYECXHTCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{3-[benzyl(methyl)amino]piperidine-1-carbonyl}thiophen-3-yl)acetamide
• IUPAC Traditional name: N-(2-{3-[benzyl(methyl)amino]piperidine-1-carbonyl}thiophen-3-yl)acetamide
• Synonyms: N-[2-({3-[benzyl(methyl)amino]-1-piperidinyl}carbonyl)-3-thienyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.076033
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.22615455
• LogD (pH = 7.4): 1.9184483
• Log P: 3.280512
• Molar Refractivity: 106.5256 cm^3
• Polarizability: 39.991966 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -4.4
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5