3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

C18H34N4O2 — CID 70528149

IUPAC3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC1C(=O)N(CCN2CC(C)(C)N(C)C(C)C2=O)CC(C)(C)N1C
InChIInChI=1S/C18H34N4O2/c1-13-15(23)21(11-17(3,4)19(13)7)9-10-22-12-18(5,6)20(8)14(2)16(22)24/h13-14H,9-12H2,1-8H3
InChIKeyPYPDLPCWFYTKPB-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.87
Rot. Bonds3

About 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 70528149) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID70528149
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC1C(=O)N(CCN2CC(C)(C)N(C)C(C)C2=O)CC(C)(C)N1C
InChIInChI=1S/C18H34N4O2/c1-13-15(23)21(11-17(3,4)19(13)7)9-10-22-12-18(5,6)20(8)14(2)16(22)24/h13-14H,9-12H2,1-8H3
InChIKeyPYPDLPCWFYTKPB-UHFFFAOYSA-N
XLogP0.87
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 70528149) is 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is CC1C(=O)N(CCN2CC(C)(C)N(C)C(C)C2=O)CC(C)(C)N1C.
What is the InChIKey of 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is PYPDLPCWFYTKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-13-15(23)21(11-17(3,4)19(13)7)9-10-22-12-18(5,6)20(8)14(2)16(22)24/h13-14H,9-12H2,1-8H3.
What are the key properties of 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 338.50 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5-tetramethyl-1-[2-(3,4,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 70528149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).