1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione

C21H34N6O6 — CID 21120558

About 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione

1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione (PubChem CID 21120558) has the molecular formula C21H34N6O6 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione.

Molecular Properties

• Compound Name: 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
• PubChem CID: 21120558
• Molecular Formula: C21H34N6O6
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.25
• IUPAC Name: 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
• SMILES: CCC(N1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1
• InChI: InChI=1S/C21H34N6O6/c1-2-17(24-11-18(28)26(19(29)12-24)15-22-3-7-32-8-4-22)25-13-20(30)27(21(31)14-25)16-23-5-9-33-10-6-23/h17H,2-16H2,1H3
• InChIKey: SRQKCCZHYROGLI-UHFFFAOYSA-N
• XLogP: -2.36
• TPSA: 106.18 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	-2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?

The IUPAC name of 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione (CID 21120558) is 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione.

What is the SMILES notation for 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?

The canonical SMILES for 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione is CCC(N1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1.

What is the InChIKey of 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?

The InChIKey is SRQKCCZHYROGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O6/c1-2-17(24-11-18(28)26(19(29)12-24)15-22-3-7-32-8-4-22)25-13-20(30)27(21(31)14-25)16-23-5-9-33-10-6-23/h17H,2-16H2,1H3.

What are the key properties of 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?

1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione has a molecular weight of 466.54 g/mol, XLogP of -2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(morpholin-4-ylmethyl)-4-[1-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione is sourced from PubChem (CID 21120558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).