N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(3-methylpiperidin-1-yl)propanamide

• ChemBase ID: 665298
• Molecular Formular: C19H26N2OS
• Molecular Mass: 330.48754
• Monoisotopic Mass: 330.17658446
• SMILES: c1(sc2c(c1)cccc2)CN(C(=O)CCN1CC(CCC1)C)C
• Canonical SMILES: CC1CCCN(C1)CCC(=O)N(Cc1cc2c(s1)cccc2)C
• InChI: InChI=1S/C19H26N2OS/c1-15-6-5-10-21(13-15)11-9-19(22)20(2)14-17-12-16-7-3-4-8-18(16)23-17/h3-4,7-8,12,15H,5-6,9-11,13-14H2,1-2H3
• InChIKey: HAKDYQIYGSXLNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(3-methylpiperidin-1-yl)propanamide
• IUPAC Traditional name: N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(3-methylpiperidin-1-yl)propanamide
• Synonyms: N-(1-benzothien-2-ylmethyl)-N-methyl-3-(3-methyl-1-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.07666405
• LogD (pH = 7.4): 1.2454656
• Log P: 3.4938514
• Molar Refractivity: 96.7381 cm^3
• Polarizability: 38.777588 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: 4.26
• LOG S: -3.48
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5