7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C13H19N3O4 — CID 115947688

IUPAC7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC(CN1CCOCC1)N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C13H19N3O4/c1-9(8-15-4-6-20-7-5-15)16-11(18)13(2-3-13)10(17)14-12(16)19/h9H,2-8H2,1H3,(H,14,17,19)
InChIKeyCMDPODYJLYFWPZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.43
Rot. Bonds3

About 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115947688) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115947688
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC(CN1CCOCC1)N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C13H19N3O4/c1-9(8-15-4-6-20-7-5-15)16-11(18)13(2-3-13)10(17)14-12(16)19/h9H,2-8H2,1H3,(H,14,17,19)
InChIKeyCMDPODYJLYFWPZ-UHFFFAOYSA-N
XLogP-0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione with MolForge

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Related Compounds

7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600943
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83249417
7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115947575
2-methyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83249615
5-methyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83249506
7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600692
3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one
CID 63788236
8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947529
5-butan-2-yl-2-ethyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83253115
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884

Frequently Asked Questions

What is the IUPAC name of 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115947688) is 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CC(CN1CCOCC1)N1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is CMDPODYJLYFWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(8-15-4-6-20-7-5-15)16-11(18)13(2-3-13)10(17)14-12(16)19/h9H,2-8H2,1H3,(H,14,17,19).
What are the key properties of 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 281.31 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-morpholin-4-ylpropan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115947688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).