3-(2,5-dioxoimidazolidin-4-yl)-N-{1-[(3-hydroxyphenyl)methyl]piperidin-4-yl}propanamide

• ChemBase ID: 434105
• Molecular Formular: C18H24N4O4
• Molecular Mass: 360.40756
• Monoisotopic Mass: 360.17975527
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NC1CCN(Cc2cc(O)ccc2)CC1
• Canonical SMILES: O=C(NC1CCN(CC1)Cc1cccc(c1)O)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C18H24N4O4/c23-14-3-1-2-12(10-14)11-22-8-6-13(7-9-22)19-16(24)5-4-15-17(25)21-18(26)20-15/h1-3,10,13,15,23H,4-9,11H2,(H,19,24)(H2,20,21,25,26)
• InChIKey: INKVUSXKIWRTPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-{1-[(3-hydroxyphenyl)methyl]piperidin-4-yl}propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-{1-[(3-hydroxyphenyl)methyl]piperidin-4-yl}propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-[1-(3-hydroxybenzyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.233996
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.796674
• LogD (pH = 7.4): -1.0454857
• Log P: -0.6407832
• Molar Refractivity: 95.0939 cm^3
• Polarizability: 36.776985 Å^3
• Polar Surface Area: 110.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 4
• Log P: -1.12
• LOG S: -1.6
• Polar Surface Area: 110.77 Å^2
• Rotatable Bonds: 6