1-cyclobutanecarbonyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 866226
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: N1(C(=O)C2CCC2)CCC(C(=O)N(Cc2ccncc2)CCOC)CC1
• Canonical SMILES: COCCN(C(=O)C1CCN(CC1)C(=O)C1CCC1)Cc1ccncc1
• InChI: InChI=1S/C20H29N3O3/c1-26-14-13-23(15-16-5-9-21-10-6-16)20(25)18-7-11-22(12-8-18)19(24)17-3-2-4-17/h5-6,9-10,17-18H,2-4,7-8,11-15H2,1H3
• InChIKey: FGUKXXTVHQOOBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutanecarbonyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclobutanecarbonyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-(cyclobutylcarbonyl)-N-(2-methoxyethyl)-N-(4-pyridinylmethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7051699
• LogD (pH = 7.4): 0.8131544
• Log P: 0.81477404
• Molar Refractivity: 99.7562 cm^3
• Polarizability: 38.71194 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.79
• LOG S: -1.2
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 7