7-cyclopentyl-2-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 692063
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: C1(=O)C2(CN(Cc3n(cnc3)CCOC)CC2)CCCN1C1CCCC1
• Canonical SMILES: COCCn1cncc1CN1CCC2(C1)CCCN(C2=O)C1CCCC1
• InChI: InChI=1S/C20H32N4O2/c1-26-12-11-23-16-21-13-18(23)14-22-10-8-20(15-22)7-4-9-24(19(20)25)17-5-2-3-6-17/h13,16-17H,2-12,14-15H2,1H3
• InChIKey: URZMHMRDDJKYAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6783899
• LogD (pH = 7.4): -0.023268647
• Log P: 1.1994852
• Molar Refractivity: 102.3993 cm^3
• Polarizability: 39.610386 Å^3
• Polar Surface Area: 50.6 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 0.74
• LOG S: -2.46
• Polar Surface Area: 50.6 Å^2