3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione

C28H50N4O4 — CID 20741651

IUPAC3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione
SMILESCN1C(C)(C)C(=O)N(CCCCCCCCCCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C28H50N4O4/c1-25(2)21(33)31(22(34)26(3,4)29(25)9)19-17-15-13-11-12-14-16-18-20-32-23(35)27(5,6)30(10)28(7,8)24(32)36/h11-20H2,1-10H3
InChIKeyNMRLFSDQNVNXLF-UHFFFAOYSA-N
MW506.73 g/mol
LogP3.82
Rot. Bonds11

About 3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione

3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione (PubChem CID 20741651) has the molecular formula C28H50N4O4 and a molecular weight of 506.73 g/mol. Its IUPAC name is 3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione
PubChem CID20741651
Molecular FormulaC28H50N4O4
Molecular Weight506.73 g/mol
Exact Mass506.38
IUPAC Name3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione
SMILESCN1C(C)(C)C(=O)N(CCCCCCCCCCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C28H50N4O4/c1-25(2)21(33)31(22(34)26(3,4)29(25)9)19-17-15-13-11-12-14-16-18-20-32-23(35)27(5,6)30(10)28(7,8)24(32)36/h11-20H2,1-10H3
InChIKeyNMRLFSDQNVNXLF-UHFFFAOYSA-N
XLogP3.82
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.73
LogP ≤ 53.82
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-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione?
The IUPAC name of 3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione (CID 20741651) is 3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione?
The canonical SMILES for 3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione is CN1C(C)(C)C(=O)N(CCCCCCCCCCN2C(=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-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione?
The InChIKey is NMRLFSDQNVNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N4O4/c1-25(2)21(33)31(22(34)26(3,4)29(25)9)19-17-15-13-11-12-14-16-18-20-32-23(35)27(5,6)30(10)28(7,8)24(32)36/h11-20H2,1-10H3.
What are the key properties of 3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione?
3,3,4,5,5-pentamethyl-1-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione has a molecular weight of 506.73 g/mol, XLogP of 3.82, 11 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-[10-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)decyl]piperazine-2,6-dione is sourced from PubChem (CID 20741651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).