N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxolane-3-carboxamide

• ChemBase ID: 862195
• Molecular Formular: C16H23N3O2
• Molecular Mass: 289.37272
• Monoisotopic Mass: 289.17902699
• SMILES: C(=O)(C1COCC1)NC1CCN(Cc2ncccc2)CC1
• Canonical SMILES: O=C(C1COCC1)NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C16H23N3O2/c20-16(13-6-10-21-12-13)18-14-4-8-19(9-5-14)11-15-3-1-2-7-17-15/h1-3,7,13-14H,4-6,8-12H2,(H,18,20)
• InChIKey: HMNRPFVEJRVHQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxolane-3-carboxamide
• IUPAC Traditional name: N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxolane-3-carboxamide
• Synonyms: N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.402661
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7529185
• LogD (pH = 7.4): -0.26855525
• Log P: -0.059188966
• Molar Refractivity: 80.7429 cm^3
• Polarizability: 31.65502 Å^3
• Polar Surface Area: 54.46 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: -0.74
• LOG S: -0.69
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4