3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione

C15H24N4O2 — CID 79487490

IUPAC3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
SMILESCC(C1=NC(=O)C2(CCCCC2)C(=O)N1)N1CCNCC1
InChIInChI=1S/C15H24N4O2/c1-11(19-9-7-16-8-10-19)12-17-13(20)15(14(21)18-12)5-3-2-4-6-15/h11,16H,2-10H2,1H3,(H,17,18,20,21)
InChIKeyMDHKVROJFOBJJI-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.29
Rot. Bonds2

About 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione

3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione (PubChem CID 79487490) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione.

Molecular Properties

Compound Name3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
PubChem CID79487490
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
SMILESCC(C1=NC(=O)C2(CCCCC2)C(=O)N1)N1CCNCC1
InChIInChI=1S/C15H24N4O2/c1-11(19-9-7-16-8-10-19)12-17-13(20)15(14(21)18-12)5-3-2-4-6-15/h11,16H,2-10H2,1H3,(H,17,18,20,21)
InChIKeyMDHKVROJFOBJJI-UHFFFAOYSA-N
XLogP0.29
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The IUPAC name of 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione (CID 79487490) is 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione.
What is the SMILES notation for 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The canonical SMILES for 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione is CC(C1=NC(=O)C2(CCCCC2)C(=O)N1)N1CCNCC1.
What is the InChIKey of 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The InChIKey is MDHKVROJFOBJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(19-9-7-16-8-10-19)12-17-13(20)15(14(21)18-12)5-3-2-4-6-15/h11,16H,2-10H2,1H3,(H,17,18,20,21).
What are the key properties of 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione has a molecular weight of 292.38 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperazin-1-ylethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione is sourced from PubChem (CID 79487490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).