N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-(thiophen-2-yl)butanamide

• ChemBase ID: 348835
• Molecular Formular: C23H30N2OS
• Molecular Mass: 382.5621
• Monoisotopic Mass: 382.20788459
• SMILES: N1(C2Cc3c(C2)cccc3)CC(N(C(=O)CCCc2sccc2)C)CCC1
• Canonical SMILES: CN(C(=O)CCCc1cccs1)C1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H30N2OS/c1-24(23(26)12-4-10-22-11-6-14-27-22)20-9-5-13-25(17-20)21-15-18-7-2-3-8-19(18)16-21/h2-3,6-8,11,14,20-21H,4-5,9-10,12-13,15-17H2,1H3
• InChIKey: IJGKCPLAPQHWEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-(thiophen-2-yl)butanamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-(thiophen-2-yl)butanamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-N-methyl-4-(2-thienyl)butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4781545
• LogD (pH = 7.4): 3.0964348
• Log P: 4.650421
• Molar Refractivity: 112.8048 cm^3
• Polarizability: 43.638588 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.38
• LOG S: -4.84
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6