1-cyclopropyl-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide

• ChemBase ID: 759288
• Molecular Formular: C22H30N2O2
• Molecular Mass: 354.4858
• Monoisotopic Mass: 354.23072821
• SMILES: N1(CC(C(=O)NCC2(c3ccccc3)CCCCC2)CCC1=O)C1CC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CC1)NCC1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C22H30N2O2/c25-20-12-9-17(15-24(20)19-10-11-19)21(26)23-16-22(13-5-2-6-14-22)18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,23,26)
• InChIKey: BGGKBROWOXKZBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopropyl-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
• Synonyms: 1-cyclopropyl-6-oxo-N-[(1-phenylcyclohexyl)methyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.884408
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9756732
• LogD (pH = 7.4): 2.9756734
• Log P: 2.9756734
• Molar Refractivity: 102.0097 cm^3
• Polarizability: 40.02202 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.51
• LOG S: -3.81
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5