5-(1-benzylpiperidin-4-yl)-3-(oxolan-2-ylmethyl)-5-(pyridin-2-yl)imidazolidine-2,4-dione

• ChemBase ID: 376523
• Molecular Formular: C25H30N4O3
• Molecular Mass: 434.5307
• Monoisotopic Mass: 434.23179084
• SMILES: N1(C(=O)C(NC1=O)(c1ncccc1)C1CCN(Cc2ccccc2)CC1)CC1OCCC1
• Canonical SMILES: O=C1NC(C(=O)N1CC1CCCO1)(C1CCN(CC1)Cc1ccccc1)c1ccccn1
• InChI: InChI=1S/C25H30N4O3/c30-23-25(22-10-4-5-13-26-22,27-24(31)29(23)18-21-9-6-16-32-21)20-11-14-28(15-12-20)17-19-7-2-1-3-8-19/h1-5,7-8,10,13,20-21H,6,9,11-12,14-18H2,(H,27,31)
• InChIKey: HNDAROMBKCTVHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-benzylpiperidin-4-yl)-3-(oxolan-2-ylmethyl)-5-(pyridin-2-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(1-benzylpiperidin-4-yl)-3-(oxolan-2-ylmethyl)-5-(pyridin-2-yl)imidazolidine-2,4-dione
• Synonyms: 5-(1-benzyl-4-piperidinyl)-5-(2-pyridinyl)-3-(tetrahydro-2-furanylmethyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.765384
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.33629104
• LogD (pH = 7.4): 1.4086906
• Log P: 2.5844898
• Molar Refractivity: 120.8729 cm^3
• Polarizability: 47.251102 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.38
• LOG S: -4.58
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 6