3-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-4-(3-methylpiperidin-1-yl)benzamide

• ChemBase ID: 768939
• Molecular Formular: C18H23N5O4
• Molecular Mass: 373.40632
• Monoisotopic Mass: 373.17500424
• SMILES: N1(C(=O)NCC1=O)CC(=O)Nc1c(N2CC(CCC2)C)ccc(C(=O)N)c1
• Canonical SMILES: CC1CCCN(C1)c1ccc(cc1NC(=O)CN1C(=O)CNC1=O)C(=O)N
• InChI: InChI=1S/C18H23N5O4/c1-11-3-2-6-22(9-11)14-5-4-12(17(19)26)7-13(14)21-15(24)10-23-16(25)8-20-18(23)27/h4-5,7,11H,2-3,6,8-10H2,1H3,(H2,19,26)(H,20,27)(H,21,24)
• InChIKey: NWTFWQUZUJZBMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-4-(3-methylpiperidin-1-yl)benzamide
• IUPAC Traditional name: 3-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-4-(3-methylpiperidin-1-yl)benzamide
• Synonyms: 3-{[(2,5-dioxoimidazolidin-1-yl)acetyl]amino}-4-(3-methylpiperidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.52069
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.14179572
• LogD (pH = 7.4): -0.14028828
• Log P: -0.14023608
• Molar Refractivity: 100.4253 cm^3
• Polarizability: 36.81881 Å^3
• Polar Surface Area: 124.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.38
• LOG S: -2.9
• Polar Surface Area: 124.84 Å^2
• Rotatable Bonds: 5