3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1-phenylcyclopentanecarbonyl)piperidine

• ChemBase ID: 544367
• Molecular Formular: C23H31N3O2
• Molecular Mass: 381.51114
• Monoisotopic Mass: 381.24162725
• SMILES: C(=O)(N1CC(c2n(ccn2)CCOC)CCC1)C1(c2ccccc2)CCCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)C1(CCCC1)c1ccccc1
• InChI: InChI=1S/C23H31N3O2/c1-28-17-16-25-15-13-24-21(25)19-8-7-14-26(18-19)22(27)23(11-5-6-12-23)20-9-3-2-4-10-20/h2-4,9-10,13,15,19H,5-8,11-12,14,16-18H2,1H3
• InChIKey: ILOLFBKFCASRSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1-phenylcyclopentanecarbonyl)piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(1-phenylcyclopentanecarbonyl)piperidine
• Synonyms: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(1-phenylcyclopentyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7241156
• LogD (pH = 7.4): 3.3548996
• Log P: 3.3827205
• Molar Refractivity: 110.4344 cm^3
• Polarizability: 42.876637 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.04
• LOG S: -4.58
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6