2-[2-(2-oxo-1,2-dihydropyridin-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 573528
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: C12(C(=O)N(CCC2)CCC)CN(C(=O)Cn2c(=O)cccc2)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)C(=O)Cn1ccccc1=O
• InChI: InChI=1S/C18H25N3O3/c1-2-9-19-11-5-7-18(17(19)24)8-12-21(14-18)16(23)13-20-10-4-3-6-15(20)22/h3-4,6,10H,2,5,7-9,11-14H2,1H3
• InChIKey: MMPSMJJUEMMSPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-oxo-1,2-dihydropyridin-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(2-oxopyridin-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-oxopyridin-1(2H)-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.2846
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.19016951
• LogD (pH = 7.4): 0.19017017
• Log P: 0.19017018
• Molar Refractivity: 92.5277 cm^3
• Polarizability: 34.863247 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.62
• LOG S: -2.15
• Polar Surface Area: 62.62 Å^2
• Rotatable Bonds: 4