N'-[(1-butylpiperidin-4-yl)methyl]-N-cyclopentylbutanediamide

• ChemBase ID: 779503
• Molecular Formular: C19H35N3O2
• Molecular Mass: 337.5001
• Monoisotopic Mass: 337.27292738
• SMILES: N1(CCC(CNC(=O)CCC(=O)NC2CCCC2)CC1)CCCC
• Canonical SMILES: CCCCN1CCC(CC1)CNC(=O)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C19H35N3O2/c1-2-3-12-22-13-10-16(11-14-22)15-20-18(23)8-9-19(24)21-17-6-4-5-7-17/h16-17H,2-15H2,1H3,(H,20,23)(H,21,24)
• InChIKey: SUSHPYWIWWNITB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(1-butylpiperidin-4-yl)methyl]-N-cyclopentylbutanediamide
• IUPAC Traditional name: N'-[(1-butylpiperidin-4-yl)methyl]-N-cyclopentylsuccinamide
• Synonyms: N-[(1-butylpiperidin-4-yl)methyl]-N'-cyclopentylsuccinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.710616
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.836792
• LogD (pH = 7.4): -0.7706863
• Log P: 1.6009917
• Molar Refractivity: 97.5307 cm^3
• Polarizability: 38.208748 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.29
• LOG S: -3.62
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 9