N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide

• ChemBase ID: 511916
• Molecular Formular: C16H22N2O2S
• Molecular Mass: 306.42308
• Monoisotopic Mass: 306.14019895
• SMILES: C(=O)(N1CC(CCC(=O)NC2CC2)CCC1)c1cscc1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)C(=O)c1ccsc1
• InChI: InChI=1S/C16H22N2O2S/c19-15(17-14-4-5-14)6-3-12-2-1-8-18(10-12)16(20)13-7-9-21-11-13/h7,9,11-12,14H,1-6,8,10H2,(H,17,19)
• InChIKey: HIVHNTFTDQYAIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
• Synonyms: N-cyclopropyl-3-[1-(3-thienylcarbonyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.302615
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7182125
• LogD (pH = 7.4): 1.7182127
• Log P: 1.7182127
• Molar Refractivity: 83.4467 cm^3
• Polarizability: 31.859686 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 0.68
• LOG S: -3.93
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5