N-cyclopropyl-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 580608
• Molecular Formular: C19H28N4O2S
• Molecular Mass: 376.51622
• Monoisotopic Mass: 376.19329716
• SMILES: c1(C(=O)N2CCC(N3CC(C(=O)NC4CC4)CCC3)CC2)c(ncs1)C
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)c1scnc1C)NC1CC1
• InChI: InChI=1S/C19H28N4O2S/c1-13-17(26-12-20-13)19(25)22-9-6-16(7-10-22)23-8-2-3-14(11-23)18(24)21-15-4-5-15/h12,14-16H,2-11H2,1H3,(H,21,24)
• InChIKey: SVOBNJBYSBOXFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.515651
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.011165
• LogD (pH = 7.4): -1.6185607
• Log P: 0.33196282
• Molar Refractivity: 102.1229 cm^3
• Polarizability: 39.08426 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.65
• LOG S: -2.7
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4