7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C14H21N3O3 — CID 115947575

IUPAC7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC(CN1C(=O)NC(=O)C2(CC2)C1=O)N1CCCCC1
InChIInChI=1S/C14H21N3O3/c1-10(16-7-3-2-4-8-16)9-17-12(19)14(5-6-14)11(18)15-13(17)20/h10H,2-9H2,1H3,(H,15,18,20)
InChIKeyQQBISBOWXUXLJW-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.72
Rot. Bonds3

About 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115947575) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115947575
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC(CN1C(=O)NC(=O)C2(CC2)C1=O)N1CCCCC1
InChIInChI=1S/C14H21N3O3/c1-10(16-7-3-2-4-8-16)9-17-12(19)14(5-6-14)11(18)15-13(17)20/h10H,2-9H2,1H3,(H,15,18,20)
InChIKeyQQBISBOWXUXLJW-UHFFFAOYSA-N
XLogP0.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600986
9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949090
8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 102702120
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115947575) is 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CC(CN1C(=O)NC(=O)C2(CC2)C1=O)N1CCCCC1.
What is the InChIKey of 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is QQBISBOWXUXLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(16-7-3-2-4-8-16)9-17-12(19)14(5-6-14)11(18)15-13(17)20/h10H,2-9H2,1H3,(H,15,18,20).
What are the key properties of 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 279.34 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115947575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).