3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione

C20H32N6O6 — CID 70351899

IUPAC3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione
SMILESCC1C(=O)N(N2CCOCC2)C(=O)CN1CCN1CC(=O)N(N2CCOCC2)C(=O)C1C
InChIInChI=1S/C20H32N6O6/c1-15-19(29)25(23-5-9-31-10-6-23)17(27)13-21(15)3-4-22-14-18(28)26(20(30)16(22)2)24-7-11-32-12-8-24/h15-16H,3-14H2,1-2H3
InChIKeySGEZGOGYVIOGPJ-UHFFFAOYSA-N
MW452.51 g/mol
LogP-2.40
Rot. Bonds5

About 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione

3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione (PubChem CID 70351899) has the molecular formula C20H32N6O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione
PubChem CID70351899
Molecular FormulaC20H32N6O6
Molecular Weight452.51 g/mol
Exact Mass452.24
IUPAC Name3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione
SMILESCC1C(=O)N(N2CCOCC2)C(=O)CN1CCN1CC(=O)N(N2CCOCC2)C(=O)C1C
InChIInChI=1S/C20H32N6O6/c1-15-19(29)25(23-5-9-31-10-6-23)17(27)13-21(15)3-4-22-14-18(28)26(20(30)16(22)2)24-7-11-32-12-8-24/h15-16H,3-14H2,1-2H3
InChIKeySGEZGOGYVIOGPJ-UHFFFAOYSA-N
XLogP-2.40
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione (CID 70351899) is 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione is CC1C(=O)N(N2CCOCC2)C(=O)CN1CCN1CC(=O)N(N2CCOCC2)C(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione?
The InChIKey is SGEZGOGYVIOGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O6/c1-15-19(29)25(23-5-9-31-10-6-23)17(27)13-21(15)3-4-22-14-18(28)26(20(30)16(22)2)24-7-11-32-12-8-24/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione?
3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione has a molecular weight of 452.51 g/mol, XLogP of -2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(2-methyl-4-morpholin-4-yl-3,5-dioxopiperazin-1-yl)ethyl]-1-morpholin-4-ylpiperazine-2,6-dione is sourced from PubChem (CID 70351899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).