3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one

C19H35N3O2 — CID 70952810

IUPAC3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one
SMILESCC1(C)CC(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C19H35N3O2/c1-16(2)11-13(14(23)18(5,6)20-16)9-10-22-12-17(3,4)21-19(7,8)15(22)24/h13,20-21H,9-12H2,1-8H3
InChIKeyOAIRRMYPDKQREH-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.10
Rot. Bonds3

About 3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one

3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one (PubChem CID 70952810) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one
PubChem CID70952810
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one
SMILESCC1(C)CC(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C19H35N3O2/c1-16(2)11-13(14(23)18(5,6)20-16)9-10-22-12-17(3,4)21-19(7,8)15(22)24/h13,20-21H,9-12H2,1-8H3
InChIKeyOAIRRMYPDKQREH-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.10
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-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one (CID 70952810) is 3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one is CC1(C)CC(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one?
The InChIKey is OAIRRMYPDKQREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-16(2)11-13(14(23)18(5,6)20-16)9-10-22-12-17(3,4)21-19(7,8)15(22)24/h13,20-21H,9-12H2,1-8H3.
What are the key properties of 3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one?
3,3,5,5-tetramethyl-1-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one has a molecular weight of 337.51 g/mol, XLogP of 2.10, 3 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-[2-(2,2,6,6-tetramethyl-3-oxopiperidin-4-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 70952810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).