1-(2,3-dihydro-1H-indene-5-carbonyl)-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 782876
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: c1(n(ccn1)CCOC)C1CCN(C(=O)c2cc3c(cc2)CCC3)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C21H27N3O2/c1-26-14-13-23-12-9-22-20(23)17-7-10-24(11-8-17)21(25)19-6-5-16-3-2-4-18(16)15-19/h5-6,9,12,15,17H,2-4,7-8,10-11,13-14H2,1H3
• InChIKey: NFUDWEFDDMLJEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
• Synonyms: 1-(2,3-dihydro-1H-inden-5-ylcarbonyl)-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0575068
• LogD (pH = 7.4): 2.7004218
• Log P: 2.7299213
• Molar Refractivity: 102.9429 cm^3
• Polarizability: 38.821674 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: 1.71
• LOG S: -3.24
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5