4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine

• ChemBase ID: 702320
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(n(ccn1)CCOC)C1CCN(C(=O)C2Cc3c(CC2)cccc3)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C22H29N3O2/c1-27-15-14-24-13-10-23-21(24)18-8-11-25(12-9-18)22(26)20-7-6-17-4-2-3-5-19(17)16-20/h2-5,10,13,18,20H,6-9,11-12,14-16H2,1H3
• InChIKey: YLLCPQLRARIGIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine
• IUPAC Traditional name: 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine
• Synonyms: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1,2,3,4-tetrahydro-2-naphthalenylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0672367
• LogD (pH = 7.4): 2.7101521
• Log P: 2.7396514
• Molar Refractivity: 106.5276 cm^3
• Polarizability: 41.033955 Å^3
• Polar Surface Area: 47.36 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: 2.7
• LOG S: -4.18
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5