N-cyclopropyl-1-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 606283
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: C(=O)(c1ncccc1O)N1CCC(N2CC(C(=O)NC3CC3)CCC2)CC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)c1ncccc1O)NC1CC1
• InChI: InChI=1S/C20H28N4O3/c25-17-4-1-9-21-18(17)20(27)23-11-7-16(8-12-23)24-10-2-3-14(13-24)19(26)22-15-5-6-15/h1,4,9,14-16,25H,2-3,5-8,10-13H2,(H,22,26)
• InChIKey: KVEYKCNEQRBPLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-[(3-hydroxypyridin-2-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.468838
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.794308
• LogD (pH = 7.4): -0.23513238
• Log P: -0.020056538
• Molar Refractivity: 101.9909 cm^3
• Polarizability: 39.233116 Å^3
• Polar Surface Area: 85.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.44
• LOG S: -2.29
• Polar Surface Area: 85.77 Å^2
• Rotatable Bonds: 4