N-{[1-(3-cyclopentylpropyl)piperidin-3-yl]methyl}thiophene-2-carboxamide

• ChemBase ID: 315827
• Molecular Formular: C19H30N2OS
• Molecular Mass: 334.5193
• Monoisotopic Mass: 334.20788459
• SMILES: C(=O)(c1sccc1)NCC1CN(CCCC2CCCC2)CCC1
• Canonical SMILES: O=C(c1cccs1)NCC1CCCN(C1)CCCC1CCCC1
• InChI: InChI=1S/C19H30N2OS/c22-19(18-10-5-13-23-18)20-14-17-9-4-12-21(15-17)11-3-8-16-6-1-2-7-16/h5,10,13,16-17H,1-4,6-9,11-12,14-15H2,(H,20,22)
• InChIKey: HBSBGCUPXKMGFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(3-cyclopentylpropyl)piperidin-3-yl]methyl}thiophene-2-carboxamide
• IUPAC Traditional name: N-{[1-(3-cyclopentylpropyl)piperidin-3-yl]methyl}thiophene-2-carboxamide
• Synonyms: N-{[1-(3-cyclopentylpropyl)-3-piperidinyl]methyl}-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.156072
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5990445
• LogD (pH = 7.4): 1.9239713
• Log P: 3.9703054
• Molar Refractivity: 97.5163 cm^3
• Polarizability: 37.67696 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.36
• LOG S: -4.88
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7