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

• ChemBase ID: 341691
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)CCCn2cncc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCC1)CCCn1cncc1
• InChI: InChI=1S/C20H30N4O2/c25-18(7-3-11-22-14-10-21-16-22)23-13-9-20(15-23)8-4-12-24(19(20)26)17-5-1-2-6-17/h10,14,16-17H,1-9,11-13,15H2
• InChIKey: OMGPIEFVDNGQSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4962631
• LogD (pH = 7.4): 0.9604312
• Log P: 1.0291295
• Molar Refractivity: 100.0902 cm^3
• Polarizability: 38.690964 Å^3
• Polar Surface Area: 58.44 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: 1.39
• LOG S: -3.0
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5