7-cyclopentyl-2-[2-(1H-imidazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 866227
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)Cc2nc[nH]c2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCC1)Cc1c[nH]cn1
• InChI: InChI=1S/C18H26N4O2/c23-16(10-14-11-19-13-20-14)21-9-7-18(12-21)6-3-8-22(17(18)24)15-4-1-2-5-15/h11,13,15H,1-10,12H2,(H,19,20)
• InChIKey: YRQBPSFGKIHCEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-[2-(1H-imidazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-[2-(1H-imidazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-(1H-imidazol-4-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 12.99872
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.10858018
• LogD (pH = 7.4): 0.7886055
• Log P: 0.8253948
• Molar Refractivity: 90.5901 cm^3
• Polarizability: 35.01559 Å^3
• Polar Surface Area: 69.3 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 1
• Log P: 0.62
• LOG S: -2.14
• Polar Surface Area: 69.3 Å^2