2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide

• ChemBase ID: 337580
• Molecular Formular: C21H29N3O3
• Molecular Mass: 371.47326
• Monoisotopic Mass: 371.2208918
• SMILES: C1(C(=O)NC2CCN(Cc3ncccc3)CC2)C2(OC(=O)C1)CCCCC2
• Canonical SMILES: O=C1CC(C2(O1)CCCCC2)C(=O)NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C21H29N3O3/c25-19-14-18(21(27-19)9-3-1-4-10-21)20(26)23-16-7-12-24(13-8-16)15-17-6-2-5-11-22-17/h2,5-6,11,16,18H,1,3-4,7-10,12-15H2,(H,23,26)
• InChIKey: RIZVOSLSDWVVDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide
• IUPAC Traditional name: 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide
• Synonyms: 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.365889
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.41067502
• LogD (pH = 7.4): 1.0736884
• Log P: 1.2830547
• Molar Refractivity: 101.4013 cm^3
• Polarizability: 40.2127 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.42
• LOG S: -0.97
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4