7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C13H13N3O3 — CID 112599586

IUPAC7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1CCc1ccncc1
InChIInChI=1S/C13H13N3O3/c17-10-13(4-5-13)11(18)16(12(19)15-10)8-3-9-1-6-14-7-2-9/h1-2,6-7H,3-5,8H2,(H,15,17,19)
InChIKeyOIRBIXZRPDIFMR-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.48
Rot. Bonds3

About 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112599586) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112599586
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1CCc1ccncc1
InChIInChI=1S/C13H13N3O3/c17-10-13(4-5-13)11(18)16(12(19)15-10)8-3-9-1-6-14-7-2-9/h1-2,6-7H,3-5,8H2,(H,15,17,19)
InChIKeyOIRBIXZRPDIFMR-UHFFFAOYSA-N
XLogP0.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione with MolForge

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Related Compounds

7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946237
8-[2-(3-methylphenyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947825
1-(2-pyridin-4-ylethyl)piperidine-2,6-dione
CID 86299954
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
(5R)-5-methyl-5-(2-methylpropyl)-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 95597576
5-(1,3-benzodioxol-5-ylmethyl)-1-(2-phenylethyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
CID 2947695
7-[(1-methylimidazol-2-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600629
9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 114958048
5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 75858248
5-methyl-3-(2-phenylethyl)-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226505
4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106172217
1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 20641711

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112599586) is 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NC(=O)C2(CC2)C(=O)N1CCc1ccncc1.
What is the InChIKey of 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is OIRBIXZRPDIFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-10-13(4-5-13)11(18)16(12(19)15-10)8-3-9-1-6-14-7-2-9/h1-2,6-7H,3-5,8H2,(H,15,17,19).
What are the key properties of 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 259.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112599586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).