2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(pyrimidin-2-yl)piperidin-3-yl]acetamide

• ChemBase ID: 345905
• Molecular Formular: C14H18N6O3
• Molecular Mass: 318.33112
• Monoisotopic Mass: 318.14403847
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC1CN(c2ncccn2)CCC1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NC1CCCN(C1)c1ncccn1
• InChI: InChI=1S/C14H18N6O3/c21-11(9-20-12(22)7-17-14(20)23)18-10-3-1-6-19(8-10)13-15-4-2-5-16-13/h2,4-5,10H,1,3,6-9H2,(H,17,23)(H,18,21)
• InChIKey: NPXVIYHDKASSII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(pyrimidin-2-yl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(pyrimidin-2-yl)piperidin-3-yl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[1-(2-pyrimidinyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.804621
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.203394
• LogD (pH = 7.4): -1.201267
• Log P: -1.2012227
• Molar Refractivity: 81.0854 cm^3
• Polarizability: 30.404316 Å^3
• Polar Surface Area: 107.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.02
• LOG S: -1.96
• Polar Surface Area: 107.53 Å^2
• Rotatable Bonds: 4