N-benzyl-N-methyl-3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]propanamide

• ChemBase ID: 515852
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: c1(C(=O)N2CCC(CCC(=O)N(Cc3ccccc3)C)CC2)nsnc1
• Canonical SMILES: O=C(N(Cc1ccccc1)C)CCC1CCN(CC1)C(=O)c1nsnc1
• InChI: InChI=1S/C19H24N4O2S/c1-22(14-16-5-3-2-4-6-16)18(24)8-7-15-9-11-23(12-10-15)19(25)17-13-20-26-21-17/h2-6,13,15H,7-12,14H2,1H3
• InChIKey: BGYIWBCCNQTJOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]propanamide
• Synonyms: N-benzyl-N-methyl-3-[1-(1,2,5-thiadiazol-3-ylcarbonyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1107035
• LogD (pH = 7.4): 2.1107037
• Log P: 2.1107037
• Molar Refractivity: 103.1202 cm^3
• Polarizability: 38.634228 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.73
• LOG S: -3.4
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 6