1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione

C18H34N4O2 — CID 21454717

IUPAC1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione
SMILESCC1(C)CN(C(=O)C(=O)N2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C18H34N4O2/c1-15(2)9-21(10-16(3,4)19-15)13(23)14(24)22-11-17(5,6)20-18(7,8)12-22/h19-20H,9-12H2,1-8H3
InChIKeyHAVBUDRJKCECDT-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.96
Rot. Bonds

About 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione

1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 21454717) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione
PubChem CID21454717
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione
SMILESCC1(C)CN(C(=O)C(=O)N2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C18H34N4O2/c1-15(2)9-21(10-16(3,4)19-15)13(23)14(24)22-11-17(5,6)20-18(7,8)12-22/h19-20H,9-12H2,1-8H3
InChIKeyHAVBUDRJKCECDT-UHFFFAOYSA-N
XLogP0.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione (CID 21454717) is 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione is CC1(C)CN(C(=O)C(=O)N2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is HAVBUDRJKCECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-15(2)9-21(10-16(3,4)19-15)13(23)14(24)22-11-17(5,6)20-18(7,8)12-22/h19-20H,9-12H2,1-8H3.
What are the key properties of 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione?
1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 338.50 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3,3,5,5-tetramethylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 21454717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).