2-(cyclopropylmethyl)-8-[(1-propyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 775266
• Molecular Formular: C20H32N4O
• Molecular Mass: 344.49428
• Monoisotopic Mass: 344.25761166
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1n(ccn1)CCC)CCC2)CC1CC1
• Canonical SMILES: CCCn1ccnc1CN1CCCC2(C1)CCC(=O)N(C2)CC1CC1
• InChI: InChI=1S/C20H32N4O/c1-2-10-23-12-9-21-18(23)14-22-11-3-7-20(15-22)8-6-19(25)24(16-20)13-17-4-5-17/h9,12,17H,2-8,10-11,13-16H2,1H3
• InChIKey: ZRCLOSXTBCEIHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-8-[(1-propyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(cyclopropylmethyl)-8-[(1-propyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.12401667
• LogD (pH = 7.4): 1.5539882
• Log P: 1.7933735
• Molar Refractivity: 100.0019 cm^3
• Polarizability: 38.913967 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.4
• LOG S: -3.76
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6