N-cyclopropyl-2-(2-oxopiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 552683
• Molecular Formular: C14H19N3O2S
• Molecular Mass: 293.38456
• Monoisotopic Mass: 293.11979786
• SMILES: C(=O)(N(C1CC1)Cc1nccs1)CN1C(=O)CCCC1
• Canonical SMILES: O=C(N(C1CC1)Cc1nccs1)CN1CCCCC1=O
• InChI: InChI=1S/C14H19N3O2S/c18-13-3-1-2-7-16(13)10-14(19)17(11-4-5-11)9-12-15-6-8-20-12/h6,8,11H,1-5,7,9-10H2
• InChIKey: DHCMHXGZAJEQNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(2-oxopiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(2-oxopiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
• Synonyms: N-cyclopropyl-2-(2-oxopiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.37364
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.12883162
• LogD (pH = 7.4): 0.1290227
• Log P: 0.12902515
• Molar Refractivity: 75.815 cm^3
• Polarizability: 29.382698 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.04
• LOG S: -2.23
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5