1-cyclopentyl-N-ethyl-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 439108
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: N1(CC(C(=O)N(Cc2ccncc2)CC)CCC1=O)C1CCCC1
• Canonical SMILES: CCN(C(=O)C1CCC(=O)N(C1)C1CCCC1)Cc1ccncc1
• InChI: InChI=1S/C19H27N3O2/c1-2-21(13-15-9-11-20-12-10-15)19(24)16-7-8-18(23)22(14-16)17-5-3-4-6-17/h9-12,16-17H,2-8,13-14H2,1H3
• InChIKey: KYCDIQOSFYKSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-ethyl-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-ethyl-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-ethyl-6-oxo-N-(4-pyridinylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2164031
• LogD (pH = 7.4): 1.3243878
• Log P: 1.3260075
• Molar Refractivity: 93.0746 cm^3
• Polarizability: 36.168343 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.56
• LOG S: -2.41
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4