3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

C18H34N4O2 — CID 19366072

IUPAC3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC(N1CC(C)(C)NC(C)(C)C1=O)N1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C18H34N4O2/c1-12(21-10-15(2,3)19-17(6,7)13(21)23)22-11-16(4,5)20-18(8,9)14(22)24/h12,19-20H,10-11H2,1-9H3
InChIKeySAWPHRJSCQLCAA-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.31
Rot. Bonds2

About 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 19366072) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID19366072
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC(N1CC(C)(C)NC(C)(C)C1=O)N1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C18H34N4O2/c1-12(21-10-15(2,3)19-17(6,7)13(21)23)22-11-16(4,5)20-18(8,9)14(22)24/h12,19-20H,10-11H2,1-9H3
InChIKeySAWPHRJSCQLCAA-UHFFFAOYSA-N
XLogP1.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 19366072) is 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is CC(N1CC(C)(C)NC(C)(C)C1=O)N1CC(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is SAWPHRJSCQLCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-12(21-10-15(2,3)19-17(6,7)13(21)23)22-11-16(4,5)20-18(8,9)14(22)24/h12,19-20H,10-11H2,1-9H3.
What are the key properties of 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 338.50 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 19366072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).