3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione

C20H35N5O4 — CID 20741655

IUPAC3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione
SMILESCC1(C)NC(C)(C)C(=O)N(CCNCCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C20H35N5O4/c1-17(2)13(26)24(14(27)18(3,4)22-17)11-9-21-10-12-25-15(28)19(5,6)23-20(7,8)16(25)29/h21-23H,9-12H2,1-8H3
InChIKeyNGHRYDSPBOTHTJ-UHFFFAOYSA-N
MW409.53 g/mol
LogP-0.39
Rot. Bonds6

About 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione

3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione (PubChem CID 20741655) has the molecular formula C20H35N5O4 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione
PubChem CID20741655
Molecular FormulaC20H35N5O4
Molecular Weight409.53 g/mol
Exact Mass409.27
IUPAC Name3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione
SMILESCC1(C)NC(C)(C)C(=O)N(CCNCCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C20H35N5O4/c1-17(2)13(26)24(14(27)18(3,4)22-17)11-9-21-10-12-25-15(28)19(5,6)23-20(7,8)16(25)29/h21-23H,9-12H2,1-8H3
InChIKeyNGHRYDSPBOTHTJ-UHFFFAOYSA-N
XLogP-0.39
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione with MolForge

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Related Compounds

Dexrazoxane
CID 71384
Razoxane
CID 30623
Icrf 193
CID 119081
Razoxane, (R)-
CID 298076
4,4'-(1,2-Dimethyl-1,2-ethanediyl)bis-2,6-piperazinedione
CID 115150
4-[(2R,3S)-3-(3-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166630060
4-[3-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 132047299
4-[1-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166631267
1-[2-(2,6-Dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 22368087
4-[2-Methyl-1-(3-oxopiperazin-1-yl)propan-2-yl]piperazine-2,6-dione
CID 166630181
1,1'-Ethylenebis(3,3,5,5-tetramethylpiperazinone)
CID 116979
4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione
CID 163321806

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione?
The IUPAC name of 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione (CID 20741655) is 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione is CC1(C)NC(C)(C)C(=O)N(CCNCCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione?
The InChIKey is NGHRYDSPBOTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O4/c1-17(2)13(26)24(14(27)18(3,4)22-17)11-9-21-10-12-25-15(28)19(5,6)23-20(7,8)16(25)29/h21-23H,9-12H2,1-8H3.
What are the key properties of 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione?
3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione has a molecular weight of 409.53 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethylamino]ethyl]piperazine-2,6-dione is sourced from PubChem (CID 20741655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).