3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

C18H34N4O2 — CID 139767711

IUPAC3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC1CN(C)C(C)(C)C(=O)N1CCN1C(=O)C(C)(C)N(C)CC1C
InChIInChI=1S/C18H34N4O2/c1-13-11-19(7)17(3,4)15(23)21(13)9-10-22-14(2)12-20(8)18(5,6)16(22)24/h13-14H,9-12H2,1-8H3
InChIKeyHQHRZOSCKDWBLM-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.87
Rot. Bonds3

About 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 139767711) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID139767711
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC1CN(C)C(C)(C)C(=O)N1CCN1C(=O)C(C)(C)N(C)CC1C
InChIInChI=1S/C18H34N4O2/c1-13-11-19(7)17(3,4)15(23)21(13)9-10-22-14(2)12-20(8)18(5,6)16(22)24/h13-14H,9-12H2,1-8H3
InChIKeyHQHRZOSCKDWBLM-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 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 139767711) is 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is CC1CN(C)C(C)(C)C(=O)N1CCN1C(=O)C(C)(C)N(C)CC1C.
What is the InChIKey of 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is HQHRZOSCKDWBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-13-11-19(7)17(3,4)15(23)21(13)9-10-22-14(2)12-20(8)18(5,6)16(22)24/h13-14H,9-12H2,1-8H3.
What are the key properties of 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
3,3,4,6-tetramethyl-1-[2-(3,3,4,6-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 3,3,4,6-tetramethyl-1-[2-(3,3,4,6-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 139767711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).