3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide

• ChemBase ID: 728025
• Molecular Formular: C18H26N4O3
• Molecular Mass: 346.42404
• Monoisotopic Mass: 346.20049071
• SMILES: C(=O)(C1CN(C(=O)N)CCC1)N1CCC(CC1)OCc1ncccc1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)N1CCC(CC1)OCc1ccccn1
• InChI: InChI=1S/C18H26N4O3/c19-18(24)22-9-3-4-14(12-22)17(23)21-10-6-16(7-11-21)25-13-15-5-1-2-8-20-15/h1-2,5,8,14,16H,3-4,6-7,9-13H2,(H2,19,24)
• InChIKey: AYMUELIAIFCOAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
• IUPAC Traditional name: 3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
• Synonyms: 3-{[4-(2-pyridinylmethoxy)-1-piperidinyl]carbonyl}-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.803387
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.50573605
• LogD (pH = 7.4): -0.49769893
• Log P: -0.49759543
• Molar Refractivity: 93.1885 cm^3
• Polarizability: 36.186424 Å^3
• Polar Surface Area: 88.76 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: -0.73
• LOG S: -1.11
• Polar Surface Area: 88.76 Å^2
• Rotatable Bonds: 4