N-cyclopropyl-3-{1-[2-(thiophen-2-yl)acetyl]piperidin-3-yl}propanamide

• ChemBase ID: 784034
• Molecular Formular: C17H24N2O2S
• Molecular Mass: 320.44966
• Monoisotopic Mass: 320.15584902
• SMILES: C(=O)(N1CC(CCC(=O)NC2CC2)CCC1)Cc1sccc1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)C(=O)Cc1cccs1
• InChI: InChI=1S/C17H24N2O2S/c20-16(18-14-6-7-14)8-5-13-3-1-9-19(12-13)17(21)11-15-4-2-10-22-15/h2,4,10,13-14H,1,3,5-9,11-12H2,(H,18,20)
• InChIKey: OQIJOBOJKMFYRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[2-(thiophen-2-yl)acetyl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{1-[2-(thiophen-2-yl)acetyl]piperidin-3-yl}propanamide
• Synonyms: N-cyclopropyl-3-[1-(2-thienylacetyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.654812
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8308173
• LogD (pH = 7.4): 1.8308175
• Log P: 1.8308175
• Molar Refractivity: 87.2822 cm^3
• Polarizability: 33.894764 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.47
• LOG S: -3.81
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6