7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C11H13N3O4 — CID 112600414

IUPAC7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NCCCC1N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H13N3O4/c15-7-6(2-1-5-12-7)14-9(17)11(3-4-11)8(16)13-10(14)18/h6H,1-5H2,(H,12,15)(H,13,16,18)
InChIKeyCELATMXXBUYGDG-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.88
Rot. Bonds1

About 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112600414) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112600414
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NCCCC1N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H13N3O4/c15-7-6(2-1-5-12-7)14-9(17)11(3-4-11)8(16)13-10(14)18/h6H,1-5H2,(H,12,15)(H,13,16,18)
InChIKeyCELATMXXBUYGDG-UHFFFAOYSA-N
XLogP-0.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946932
8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948583
1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112600409
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
3-(azocan-1-yl)piperidin-2-one
CID 90761480
8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598608
8-(2,2-dimethylcyclopropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599999
4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112600000
7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599828
9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948459
4-(thiolan-3-yl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 103065550
8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947312

Frequently Asked Questions

What is the IUPAC name of 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112600414) is 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NCCCC1N1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is CELATMXXBUYGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-7-6(2-1-5-12-7)14-9(17)11(3-4-11)8(16)13-10(14)18/h6H,1-5H2,(H,12,15)(H,13,16,18).
What are the key properties of 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 251.24 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112600414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).