6-oxo-1-(2-phenylethyl)-N-propyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 849050
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2cnccc2)CCC)C1)CCc1ccccc1
• Canonical SMILES: CCCN(C(=O)C1CCC(=O)N(C1)CCc1ccccc1)Cc1cccnc1
• InChI: InChI=1S/C23H29N3O2/c1-2-14-26(17-20-9-6-13-24-16-20)23(28)21-10-11-22(27)25(18-21)15-12-19-7-4-3-5-8-19/h3-9,13,16,21H,2,10-12,14-15,17-18H2,1H3
• InChIKey: HEYRSJWDWIWPJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxo-1-(2-phenylethyl)-N-propyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 6-oxo-1-(2-phenylethyl)-N-propyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• Synonyms: 6-oxo-1-(2-phenylethyl)-N-propyl-N-(3-pyridinylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4346874
• LogD (pH = 7.4): 2.5059526
• Log P: 2.5069623
• Molar Refractivity: 110.553 cm^3
• Polarizability: 42.808334 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.41
• LOG S: -2.73
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 8