8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
C134H129F9N24O21 — CID 159421169
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(-c2ccnc(N3CCC4(CC3)NC(=O)NC4=O)c2)cc1.Cc1ccc(Oc2ccc(N3CCC4(CC3)NC(=O)NC4=O)cc2)cc1.O=C1NC(=O)C2(CCN(c3ccc(Oc4ccc(F)cc4)cc3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4ccc(F)cc4)cn3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(C(F)(F)F)c4)cc3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(C(F)(F)F)c4)cn3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(F)c4)cc3)CC2)N1
InChIInChI=1S/C20H18F3N3O3.C20H21N3O3.C19H17F3N4O3.2C19H18FN3O3.C19H20N4O3.C18H17FN4O3/c21-20(22,23)13-2-1-3-16(12-13)29-15-6-4-14(5-7-15)26-10-8-19(9-11-26)17(27)24-18(28)25-19;1-14-2-6-16(7-3-14)26-17-8-4-15(5-9-17)23-12-10-20(11-13-23)18(24)21-19(25)22-20;20-19(21,22)12-2-1-3-13(10-12)29-14-4-5-15(23-11-14)26-8-6-18(7-9-26)16(27)24-17(28)25-18;20-13-1-5-15(6-2-13)26-16-7-3-14(4-8-16)23-11-9-19(10-12-23)17(24)21-18(25)22-19;20-13-2-1-3-16(12-13)26-15-6-4-14(5-7-15)23-10-8-19(9-11-23)17(24)21-18(25)22-19;1-26-15-4-2-13(3-5-15)14-6-9-20-16(12-14)23-10-7-19(8-11-23)17(24)21-18(25)22-19;19-12-1-3-13(4-2-12)26-14-5-6-15(20-11-14)23-9-7-18(8-10-23)16(24)21-17(25)22-18/h1-7,12H,8-11H2,(H2,24,25,27,28);2-9H,10-13H2,1H3,(H2,21,22,24,25);1-5,10-11H,6-9H2,(H2,24,25,27,28);1-8H,9-12H2,(H2,21,22,24,25);1-7,12H,8-11H2,(H2,21,22,24,25);2-6,9,12H,7-8,10-11H2,1H3,(H2,21,22,24,25);1-6,11H,7-10H2,(H2,21,22,24,25)
InChIKeyLPUBFIUEGLBVFB-UHFFFAOYSA-N
MW2582.63 g/mol
LogP19.43
Rot. Bonds21
About 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 159421169) has the molecular formula C134H129F9N24O21 and a molecular weight of 2582.63 g/mol. Its IUPAC name is 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
Molecular Properties
| Compound Name | 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione |
|---|---|
| PubChem CID | 159421169 |
| Molecular Formula | C134H129F9N24O21 |
| Molecular Weight | 2582.63 g/mol |
| Exact Mass | 2580.96 |
| IUPAC Name | 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione |
| SMILES | COc1ccc(-c2ccnc(N3CCC4(CC3)NC(=O)NC4=O)c2)cc1.Cc1ccc(Oc2ccc(N3CCC4(CC3)NC(=O)NC4=O)cc2)cc1.O=C1NC(=O)C2(CCN(c3ccc(Oc4ccc(F)cc4)cc3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4ccc(F)cc4)cn3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(C(F)(F)F)c4)cc3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(C(F)(F)F)c4)cn3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(F)c4)cc3)CC2)N1 |
| InChI | InChI=1S/C20H18F3N3O3.C20H21N3O3.C19H17F3N4O3.2C19H18FN3O3.C19H20N4O3.C18H17FN4O3/c21-20(22,23)13-2-1-3-16(12-13)29-15-6-4-14(5-7-15)26-10-8-19(9-11-26)17(27)24-18(28)25-19;1-14-2-6-16(7-3-14)26-17-8-4-15(5-9-17)23-12-10-20(11-13-23)18(24)21-19(25)22-20;20-19(21,22)12-2-1-3-13(10-12)29-14-4-5-15(23-11-14)26-8-6-18(7-9-26)16(27)24-17(28)25-18;20-13-1-5-15(6-2-13)26-16-7-3-14(4-8-16)23-11-9-19(10-12-23)17(24)21-18(25)22-19;20-13-2-1-3-16(12-13)26-15-6-4-14(5-7-15)23-10-8-19(9-11-23)17(24)21-18(25)22-19;1-26-15-4-2-13(3-5-15)14-6-9-20-16(12-14)23-10-7-19(8-11-23)17(24)21-18(25)22-19;19-12-1-3-13(4-2-12)26-14-5-6-15(20-11-14)23-9-7-18(8-10-23)16(24)21-17(25)22-18/h1-7,12H,8-11H2,(H2,24,25,27,28);2-9H,10-13H2,1H3,(H2,21,22,24,25);1-5,10-11H,6-9H2,(H2,24,25,27,28);1-8H,9-12H2,(H2,21,22,24,25);1-7,12H,8-11H2,(H2,21,22,24,25);2-6,9,12H,7-8,10-11H2,1H3,(H2,21,22,24,25);1-6,11H,7-10H2,(H2,21,22,24,25) |
| InChIKey | LPUBFIUEGLBVFB-UHFFFAOYSA-N |
| XLogP | 19.43 |
| TPSA | 533.36 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 188 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2582.63 |
| LogP ≤ 5 | 19.43 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 31 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 159421169) is 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(-c2ccnc(N3CCC4(CC3)NC(=O)NC4=O)c2)cc1.Cc1ccc(Oc2ccc(N3CCC4(CC3)NC(=O)NC4=O)cc2)cc1.O=C1NC(=O)C2(CCN(c3ccc(Oc4ccc(F)cc4)cc3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4ccc(F)cc4)cn3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(C(F)(F)F)c4)cc3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(C(F)(F)F)c4)cn3)CC2)N1.O=C1NC(=O)C2(CCN(c3ccc(Oc4cccc(F)c4)cc3)CC2)N1.
What is the InChIKey of 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LPUBFIUEGLBVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3.C20H21N3O3.C19H17F3N4O3.2C19H18FN3O3.C19H20N4O3.C18H17FN4O3/c21-20(22,23)13-2-1-3-16(12-13)29-15-6-4-14(5-7-15)26-10-8-19(9-11-26)17(27)24-18(28)25-19;1-14-2-6-16(7-3-14)26-17-8-4-15(5-9-17)23-12-10-20(11-13-23)18(24)21-19(25)22-20;20-19(21,22)12-2-1-3-13(10-12)29-14-4-5-15(23-11-14)26-8-6-18(7-9-26)16(27)24-17(28)25-18;20-13-1-5-15(6-2-13)26-16-7-3-14(4-8-16)23-11-9-19(10-12-23)17(24)21-18(25)22-19;20-13-2-1-3-16(12-13)26-15-6-4-14(5-7-15)23-10-8-19(9-11-23)17(24)21-18(25)22-19;1-26-15-4-2-13(3-5-15)14-6-9-20-16(12-14)23-10-7-19(8-11-23)17(24)21-18(25)22-19;19-12-1-3-13(4-2-12)26-14-5-6-15(20-11-14)23-9-7-18(8-10-23)16(24)21-17(25)22-18/h1-7,12H,8-11H2,(H2,24,25,27,28);2-9H,10-13H2,1H3,(H2,21,22,24,25);1-5,10-11H,6-9H2,(H2,24,25,27,28);1-8H,9-12H2,(H2,21,22,24,25);1-7,12H,8-11H2,(H2,21,22,24,25);2-6,9,12H,7-8,10-11H2,1H3,(H2,21,22,24,25);1-6,11H,7-10H2,(H2,21,22,24,25).
What are the key properties of 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 2582.63 g/mol, XLogP of 19.43, 21 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-fluorophenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(4-methylphenoxy)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[5-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 159421169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159421169 — identifiers, structure, computed properties (public domain)
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