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

• ChemBase ID: 636830
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: N1(C(=O)C2CCN(CC(=O)N)CC2)C(c2ncccc2)CCC1
• Canonical SMILES: NC(=O)CN1CCC(CC1)C(=O)N1CCCC1c1ccccn1
• InChI: InChI=1S/C17H24N4O2/c18-16(22)12-20-10-6-13(7-11-20)17(23)21-9-3-5-15(21)14-4-1-2-8-19-14/h1-2,4,8,13,15H,3,5-7,9-12H2,(H2,18,22)
• InChIKey: FMVJXIQTRKORKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.791513
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9642837
• LogD (pH = 7.4): -0.4436479
• Log P: -0.21924335
• Molar Refractivity: 87.1122 cm^3
• Polarizability: 34.019173 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: -0.47
• LOG S: -1.12
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4