1-cycloheptyl-N-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 378813
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: N1(CC(C(=O)N(Cc2cnccc2)C)CCC1=O)C1CCCCCC1
• Canonical SMILES: O=C(N(Cc1cccnc1)C)C1CCC(=O)N(C1)C1CCCCCC1
• InChI: InChI=1S/C20H29N3O2/c1-22(14-16-7-6-12-21-13-16)20(25)17-10-11-19(24)23(15-17)18-8-4-2-3-5-9-18/h6-7,12-13,17-18H,2-5,8-11,14-15H2,1H3
• InChIKey: SXNRKYHLPZLFFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7860509
• LogD (pH = 7.4): 1.857327
• Log P: 1.8583368
• Molar Refractivity: 97.528 cm^3
• Polarizability: 38.008873 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.77
• LOG S: -1.92
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4