3-(1-methyl-1H-imidazol-2-yl)-1-(1-phenylcyclohexanecarbonyl)piperidine

• ChemBase ID: 741779
• Molecular Formular: C22H29N3O
• Molecular Mass: 351.48516
• Monoisotopic Mass: 351.23106256
• SMILES: C(=O)(N1CC(c2n(ccn2)C)CCC1)C1(c2ccccc2)CCCCC1
• Canonical SMILES: O=C(C1(CCCCC1)c1ccccc1)N1CCCC(C1)c1nccn1C
• InChI: InChI=1S/C22H29N3O/c1-24-16-14-23-20(24)18-9-8-15-25(17-18)21(26)22(12-6-3-7-13-22)19-10-4-2-5-11-19/h2,4-5,10-11,14,16,18H,3,6-9,12-13,15,17H2,1H3
• InChIKey: LWAHTTMIFJULNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methyl-1H-imidazol-2-yl)-1-(1-phenylcyclohexanecarbonyl)piperidine
• IUPAC Traditional name: 3-(1-methylimidazol-2-yl)-1-(1-phenylcyclohexanecarbonyl)piperidine
• Synonyms: 3-(1-methyl-1H-imidazol-2-yl)-1-[(1-phenylcyclohexyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.19188
• LogD (pH = 7.4): 3.8434799
• Log P: 3.8742647
• Molar Refractivity: 103.9919 cm^3
• Polarizability: 40.349754 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.59
• LOG S: -4.83
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3