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

C20H32N6O6 — CID 139641398

IUPAC4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
SMILESO=C1CN(CN2CCOCC2)CC(=O)N1CCN1C(=O)CN(CN2CCOCC2)CC1=O
InChIInChI=1S/C20H32N6O6/c27-17-11-23(15-21-3-7-31-8-4-21)12-18(28)25(17)1-2-26-19(29)13-24(14-20(26)30)16-22-5-9-32-10-6-22/h1-16H2
InChIKeyUWYVSLXXOMKNGK-UHFFFAOYSA-N
MW452.51 g/mol
LogP-3.09
Rot. Bonds7

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

4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione (PubChem CID 139641398) has the molecular formula C20H32N6O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
PubChem CID139641398
Molecular FormulaC20H32N6O6
Molecular Weight452.51 g/mol
Exact Mass452.24
IUPAC Name4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
SMILESO=C1CN(CN2CCOCC2)CC(=O)N1CCN1C(=O)CN(CN2CCOCC2)CC1=O
InChIInChI=1S/C20H32N6O6/c27-17-11-23(15-21-3-7-31-8-4-21)12-18(28)25(17)1-2-26-19(29)13-24(14-20(26)30)16-22-5-9-32-10-6-22/h1-16H2
InChIKeyUWYVSLXXOMKNGK-UHFFFAOYSA-N
XLogP-3.09
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 5-3.09
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 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The IUPAC name of 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione (CID 139641398) is 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione is O=C1CN(CN2CCOCC2)CC(=O)N1CCN1C(=O)CN(CN2CCOCC2)CC1=O.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The InChIKey is UWYVSLXXOMKNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O6/c27-17-11-23(15-21-3-7-31-8-4-21)12-18(28)25(17)1-2-26-19(29)13-24(14-20(26)30)16-22-5-9-32-10-6-22/h1-16H2.
What are the key properties of 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione has a molecular weight of 452.51 g/mol, XLogP of -3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione is sourced from PubChem (CID 139641398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).