3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione

C24H42N4O4 — CID 20741653

IUPAC3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
SMILESCN1C(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C24H42N4O4/c1-21(2)17(29)27(18(30)22(3,4)25(21)9)15-13-11-12-14-16-28-19(31)23(5,6)26(10)24(7,8)20(28)32/h11-16H2,1-10H3
InChIKeyWKRGVAYSUZMWHJ-UHFFFAOYSA-N
MW450.62 g/mol
LogP2.26
Rot. Bonds7

About 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione

3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione (PubChem CID 20741653) has the molecular formula C24H42N4O4 and a molecular weight of 450.62 g/mol. Its IUPAC name is 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
PubChem CID20741653
Molecular FormulaC24H42N4O4
Molecular Weight450.62 g/mol
Exact Mass450.32
IUPAC Name3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
SMILESCN1C(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C24H42N4O4/c1-21(2)17(29)27(18(30)22(3,4)25(21)9)15-13-11-12-14-16-28-19(31)23(5,6)26(10)24(7,8)20(28)32/h11-16H2,1-10H3
InChIKeyWKRGVAYSUZMWHJ-UHFFFAOYSA-N
XLogP2.26
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The IUPAC name of 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione (CID 20741653) is 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The canonical SMILES for 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione is CN1C(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C.
What is the InChIKey of 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The InChIKey is WKRGVAYSUZMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O4/c1-21(2)17(29)27(18(30)22(3,4)25(21)9)15-13-11-12-14-16-28-19(31)23(5,6)26(10)24(7,8)20(28)32/h11-16H2,1-10H3.
What are the key properties of 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione has a molecular weight of 450.62 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione is sourced from PubChem (CID 20741653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).