1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione

C20H28N4O6 — CID 18719610

IUPAC1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione
SMILESO=C(C(=O)N1CCCCC1)C(=O)N1CCN(C(=O)C(=O)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H28N4O6/c25-15(17(27)21-7-3-1-4-8-21)19(29)23-11-13-24(14-12-23)20(30)16(26)18(28)22-9-5-2-6-10-22/h1-14H2
InChIKeyZXOIWISEHIYBDD-UHFFFAOYSA-N
MW420.47 g/mol
LogP-1.18
Rot. Bonds4

About 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione

1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione (PubChem CID 18719610) has the molecular formula C20H28N4O6 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione.

Molecular Properties

Compound Name1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione
PubChem CID18719610
Molecular FormulaC20H28N4O6
Molecular Weight420.47 g/mol
Exact Mass420.20
IUPAC Name1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione
SMILESO=C(C(=O)N1CCCCC1)C(=O)N1CCN(C(=O)C(=O)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H28N4O6/c25-15(17(27)21-7-3-1-4-8-21)19(29)23-11-13-24(14-12-23)20(30)16(26)18(28)22-9-5-2-6-10-22/h1-14H2
InChIKeyZXOIWISEHIYBDD-UHFFFAOYSA-N
XLogP-1.18
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione?
The IUPAC name of 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione (CID 18719610) is 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione.
What is the SMILES notation for 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione?
The canonical SMILES for 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione is O=C(C(=O)N1CCCCC1)C(=O)N1CCN(C(=O)C(=O)C(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione?
The InChIKey is ZXOIWISEHIYBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6/c25-15(17(27)21-7-3-1-4-8-21)19(29)23-11-13-24(14-12-23)20(30)16(26)18(28)22-9-5-2-6-10-22/h1-14H2.
What are the key properties of 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione?
1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione has a molecular weight of 420.47 g/mol, XLogP of -1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione is sourced from PubChem (CID 18719610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).