7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C13H19N3O3 — CID 112599828

IUPAC7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCN1CCCC(N2C(=O)NC(=O)C3(CC3)C2=O)C1
InChIInChI=1S/C13H19N3O3/c1-2-15-7-3-4-9(8-15)16-11(18)13(5-6-13)10(17)14-12(16)19/h9H,2-8H2,1H3,(H,14,17,19)
InChIKeyUCQKMEOCHLYHOK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.33
Rot. Bonds2

About 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112599828) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112599828
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCN1CCCC(N2C(=O)NC(=O)C3(CC3)C2=O)C1
InChIInChI=1S/C13H19N3O3/c1-2-15-7-3-4-9(8-15)16-11(18)13(5-6-13)10(17)14-12(16)19/h9H,2-8H2,1H3,(H,14,17,19)
InChIKeyUCQKMEOCHLYHOK-UHFFFAOYSA-N
XLogP0.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-(1-methylpiperidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599647
8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947312
6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245860
9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948526
8-[(1-ethylpyrrolidin-3-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946954
3-[(3S)-1-ethylpiperidin-3-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620696
2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
CID 21405570
2,5-diethyl-3-(1-ethylpiperidin-3-yl)-5-methylimidazolidin-4-one
CID 83245859
3-cyclopropyl-1-(1-ethylpiperidin-3-yl)-6-methylpiperazine-2,5-dione
CID 64965009
1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946696
9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948459
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112599828) is 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CCN1CCCC(N2C(=O)NC(=O)C3(CC3)C2=O)C1.
What is the InChIKey of 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is UCQKMEOCHLYHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-15-7-3-4-9(8-15)16-11(18)13(5-6-13)10(17)14-12(16)19/h9H,2-8H2,1H3,(H,14,17,19).
What are the key properties of 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 265.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112599828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).