5-{1-[2-(naphthalen-1-yl)acetyl]piperidin-4-yl}-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione

• ChemBase ID: 357411
• Molecular Formular: C28H35N3O4
• Molecular Mass: 477.5952
• Monoisotopic Mass: 477.26275662
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)Cc2c3c(ccc2)cccc3)CC1)CCC)CC1OCCC1
• Canonical SMILES: CCCC1(NC(=O)N(C1=O)CC1CCCO1)C1CCN(CC1)C(=O)Cc1cccc2c1cccc2
• InChI: InChI=1S/C28H35N3O4/c1-2-14-28(26(33)31(27(34)29-28)19-23-10-6-17-35-23)22-12-15-30(16-13-22)25(32)18-21-9-5-8-20-7-3-4-11-24(20)21/h3-5,7-9,11,22-23H,2,6,10,12-19H2,1H3,(H,29,34)
• InChIKey: KRQLMORSYYYZQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[2-(naphthalen-1-yl)acetyl]piperidin-4-yl}-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-{1-[2-(naphthalen-1-yl)acetyl]piperidin-4-yl}-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
• Synonyms: 5-[1-(1-naphthylacetyl)-4-piperidinyl]-5-propyl-3-(tetrahydro-2-furanylmethyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.6201315
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3419752
• LogD (pH = 7.4): 3.3419497
• Log P: 3.3419757
• Molar Refractivity: 133.4935 cm^3
• Polarizability: 53.1052 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.42
• LOG S: -6.15
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5