4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride

C11H16ClN4O4Pt+3 — CID 54611902

IUPAC4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride
SMILESCC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.[Cl-].[Pt+4]
InChIInChI=1S/C11H16N4O4.ClH.Pt/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H;/q;;+4/p-1
InChIKeyUHAZOKVKLVJPAC-UHFFFAOYSA-M
MW498.80 g/mol
LogP-5.71
Rot. Bonds3

About 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride

4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride (PubChem CID 54611902) has the molecular formula C11H16ClN4O4Pt+3 and a molecular weight of 498.80 g/mol. Its IUPAC name is 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride.

Molecular Properties

Compound Name4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride
PubChem CID54611902
Molecular FormulaC11H16ClN4O4Pt+3
Molecular Weight498.80 g/mol
Exact Mass498.05
IUPAC Name4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride
SMILESCC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.[Cl-].[Pt+4]
InChIInChI=1S/C11H16N4O4.ClH.Pt/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H;/q;;+4/p-1
InChIKeyUHAZOKVKLVJPAC-UHFFFAOYSA-M
XLogP-5.71
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.80
LogP ≤ 5-5.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride?
The IUPAC name of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride (CID 54611902) is 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride.
What is the SMILES notation for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride?
The canonical SMILES for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride is CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.[Cl-].[Pt+4].
What is the InChIKey of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride?
The InChIKey is UHAZOKVKLVJPAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N4O4.ClH.Pt/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H;/q;;+4/p-1.
What are the key properties of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride?
4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride has a molecular weight of 498.80 g/mol, XLogP of -5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride is sourced from PubChem (CID 54611902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).