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

• ChemBase ID: 624198
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2cnccc2)CCC)C1)CC1CCCCC1
• Canonical SMILES: CCCN(C(=O)C1CCC(=O)N(C1)CC1CCCCC1)Cc1cccnc1
• InChI: InChI=1S/C22H33N3O2/c1-2-13-24(16-19-9-6-12-23-14-19)22(27)20-10-11-21(26)25(17-20)15-18-7-4-3-5-8-18/h6,9,12,14,18,20H,2-5,7-8,10-11,13,15-17H2,1H3
• InChIKey: CKNWABZIUYANRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5358362
• LogD (pH = 7.4): 2.6071017
• Log P: 2.6081111
• Molar Refractivity: 106.9304 cm^3
• Polarizability: 41.691032 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.8
• LOG S: -3.0
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7