N-{4-[3-(piperidin-1-yl)butanamido]phenyl}pentanamide

• ChemBase ID: 594254
• Molecular Formular: C20H31N3O2
• Molecular Mass: 345.47904
• Monoisotopic Mass: 345.24162725
• SMILES: C(=O)(CC(N1CCCCC1)C)Nc1ccc(NC(=O)CCCC)cc1
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)NC(=O)CC(N1CCCCC1)C
• InChI: InChI=1S/C20H31N3O2/c1-3-4-8-19(24)21-17-9-11-18(12-10-17)22-20(25)15-16(2)23-13-6-5-7-14-23/h9-12,16H,3-8,13-15H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: WFUIYUPDHXMRGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[3-(piperidin-1-yl)butanamido]phenyl}pentanamide
• IUPAC Traditional name: N-{4-[3-(piperidin-1-yl)butanamido]phenyl}pentanamide
• Synonyms: N-{4-[(3-piperidin-1-ylbutanoyl)amino]phenyl}pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.997762
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.03335213
• LogD (pH = 7.4): 1.2679223
• Log P: 3.433792
• Molar Refractivity: 104.3021 cm^3
• Polarizability: 39.299866 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.62
• LOG S: -4.81
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8