5-{1-[2-(piperidin-1-yl)acetyl]piperidin-4-yl}-5-(pyridin-2-yl)-3-[2-(thiophen-2-yl)ethyl]imidazolidine-2,4-dione

• ChemBase ID: 790423
• Molecular Formular: C26H33N5O3S
• Molecular Mass: 495.63692
• Monoisotopic Mass: 495.23041094
• SMILES: N1(C(=O)C(NC1=O)(c1ncccc1)C1CCN(C(=O)CN2CCCCC2)CC1)CCc1sccc1
• Canonical SMILES: O=C(N1CCC(CC1)C1(NC(=O)N(C1=O)CCc1cccs1)c1ccccn1)CN1CCCCC1
• InChI: InChI=1S/C26H33N5O3S/c32-23(19-29-13-4-1-5-14-29)30-15-9-20(10-16-30)26(22-8-2-3-12-27-22)24(33)31(25(34)28-26)17-11-21-7-6-18-35-21/h2-3,6-8,12,18,20H,1,4-5,9-11,13-17,19H2,(H,28,34)
• InChIKey: GKPODNKEPBABDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[2-(piperidin-1-yl)acetyl]piperidin-4-yl}-5-(pyridin-2-yl)-3-[2-(thiophen-2-yl)ethyl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-{1-[2-(piperidin-1-yl)acetyl]piperidin-4-yl}-5-(pyridin-2-yl)-3-[2-(thiophen-2-yl)ethyl]imidazolidine-2,4-dione
• Synonyms: 5-[1-(1-piperidinylacetyl)-4-piperidinyl]-5-(2-pyridinyl)-3-[2-(2-thienyl)ethyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.569356
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.07806381
• LogD (pH = 7.4): 1.6840261
• Log P: 2.3362024
• Molar Refractivity: 134.2157 cm^3
• Polarizability: 51.973072 Å^3
• Polar Surface Area: 85.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.98
• LOG S: -5.03
• Polar Surface Area: 85.85 Å^2
• Rotatable Bonds: 7