2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione

C30H49F3N4O8 — CID 157497885

IUPAC2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCC([18F])CN1C(=O)CC2(CCN(C)CC2)C1=O.CC1C(O)C(O)C([18F])[C@H](O)C1O.CN1CCC2(CC1)CC(=O)N(CC[18F])C2=O
InChIInChI=1S/C12H19FN2O2.C11H17FN2O2.C7H13FO4/c1-9(13)8-15-10(16)7-12(11(15)17)3-5-14(2)6-4-12;1-13-5-2-11(3-6-13)8-9(15)14(7-4-12)10(11)16;1-2-4(9)6(11)3(8)7(12)5(2)10/h9H,3-8H2,1-2H3;2-8H2,1H3;2-7,9-12H,1H3/t;;2?,3?,4?,5?,6-,7?/m..0/s1/i13-1;12-1;8-1
InChIKeyBYAWHNVHZGTCNE-VXDFZDQJSA-N
MW647.74 g/mol
LogP-0.34
Rot. Bonds4

About 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione

2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 157497885) has the molecular formula C30H49F3N4O8 and a molecular weight of 647.74 g/mol. Its IUPAC name is 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID157497885
Molecular FormulaC30H49F3N4O8
Molecular Weight647.74 g/mol
Exact Mass647.36
IUPAC Name2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCC([18F])CN1C(=O)CC2(CCN(C)CC2)C1=O.CC1C(O)C(O)C([18F])[C@H](O)C1O.CN1CCC2(CC1)CC(=O)N(CC[18F])C2=O
InChIInChI=1S/C12H19FN2O2.C11H17FN2O2.C7H13FO4/c1-9(13)8-15-10(16)7-12(11(15)17)3-5-14(2)6-4-12;1-13-5-2-11(3-6-13)8-9(15)14(7-4-12)10(11)16;1-2-4(9)6(11)3(8)7(12)5(2)10/h9H,3-8H2,1-2H3;2-8H2,1H3;2-7,9-12H,1H3/t;;2?,3?,4?,5?,6-,7?/m..0/s1/i13-1;12-1;8-1
InChIKeyBYAWHNVHZGTCNE-VXDFZDQJSA-N
XLogP-0.34
TPSA162.16 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.74
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione with MolForge

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Related Compounds

6-fluorocyclohexane-1,2,3,4,5-pentol;2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;2-(2-fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2-fluoro-3,4,5,6-tetramethylcyclohexyl) acetate;methane;bis((2,3,4,5,6-pentahydroxycyclohexyl) 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate)
CID 160554834
8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 66886676
[(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 160652585
[(2S,5S,6S)-3,4,5-trihydroxy-2,6-dimethylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 118011610
2-(3-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 62667991
[(1R,4S)-2,3,5-trihydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 58183848
2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60585200
2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione
CID 95173000
[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 74221945
2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
CID 64539399
2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107155565
tert-butyl 2-(2-aminoethyl)-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 167602738

Frequently Asked Questions

What is the IUPAC name of 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione (CID 157497885) is 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione is CC([18F])CN1C(=O)CC2(CCN(C)CC2)C1=O.CC1C(O)C(O)C([18F])[C@H](O)C1O.CN1CCC2(CC1)CC(=O)N(CC[18F])C2=O.
What is the InChIKey of 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is BYAWHNVHZGTCNE-VXDFZDQJSA-N. The full InChI is InChI=1S/C12H19FN2O2.C11H17FN2O2.C7H13FO4/c1-9(13)8-15-10(16)7-12(11(15)17)3-5-14(2)6-4-12;1-13-5-2-11(3-6-13)8-9(15)14(7-4-12)10(11)16;1-2-4(9)6(11)3(8)7(12)5(2)10/h9H,3-8H2,1-2H3;2-8H2,1H3;2-7,9-12H,1H3/t;;2?,3?,4?,5?,6-,7?/m..0/s1/i13-1;12-1;8-1.
What are the key properties of 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 647.74 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-(18F)fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;(2R)-3-(18F)fluoro-6-methylcyclohexane-1,2,4,5-tetrol;2-(2-(18F)fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 157497885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).