2-{4-[2-(pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl}acetamide

• ChemBase ID: 670715
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: N1(C(=O)C2CCN(CC(=O)N)CC2)C(c2ncccc2)CCCC1
• Canonical SMILES: NC(=O)CN1CCC(CC1)C(=O)N1CCCCC1c1ccccn1
• InChI: InChI=1S/C18H26N4O2/c19-17(23)13-21-11-7-14(8-12-21)18(24)22-10-4-2-6-16(22)15-5-1-3-9-20-15/h1,3,5,9,14,16H,2,4,6-8,10-13H2,(H2,19,23)
• InChIKey: UACGAFKXLNKUTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[2-(pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl}acetamide
• IUPAC Traditional name: 2-{4-[2-(pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl}acetamide
• Synonyms: 2-(4-{[2-(2-pyridinyl)-1-piperidinyl]carbonyl}-1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.791514
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.519716
• LogD (pH = 7.4): 9.207672E-4
• Log P: 0.22532532
• Molar Refractivity: 91.7132 cm^3
• Polarizability: 35.857815 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.09
• LOG S: -1.7
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4