8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

C15H24N4O2 — CID 79487573

IUPAC8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESCCC(C1=NC(=O)C2(CCCC2)C(=O)N1)N1CCNCC1
InChIInChI=1S/C15H24N4O2/c1-2-11(19-9-7-16-8-10-19)12-17-13(20)15(14(21)18-12)5-3-4-6-15/h11,16H,2-10H2,1H3,(H,17,18,20,21)
InChIKeyZNGPWUTVEFEXFK-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.29
Rot. Bonds3

About 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (PubChem CID 79487573) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.

Molecular Properties

Compound Name8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
PubChem CID79487573
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESCCC(C1=NC(=O)C2(CCCC2)C(=O)N1)N1CCNCC1
InChIInChI=1S/C15H24N4O2/c1-2-11(19-9-7-16-8-10-19)12-17-13(20)15(14(21)18-12)5-3-4-6-15/h11,16H,2-10H2,1H3,(H,17,18,20,21)
InChIKeyZNGPWUTVEFEXFK-UHFFFAOYSA-N
XLogP0.29
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.29
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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Frequently Asked Questions

What is the IUPAC name of 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The IUPAC name of 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (CID 79487573) is 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.
What is the SMILES notation for 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The canonical SMILES for 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is CCC(C1=NC(=O)C2(CCCC2)C(=O)N1)N1CCNCC1.
What is the InChIKey of 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The InChIKey is ZNGPWUTVEFEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-11(19-9-7-16-8-10-19)12-17-13(20)15(14(21)18-12)5-3-4-6-15/h11,16H,2-10H2,1H3,(H,17,18,20,21).
What are the key properties of 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione has a molecular weight of 292.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-piperazin-1-ylpropyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is sourced from PubChem (CID 79487573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).