3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

C15H21N3O2 — CID 102879746

IUPAC3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cncc(CN2C(=O)C(C)(C)NC(=O)C2(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-10-6-11(8-16-7-10)9-18-13(20)14(2,3)17-12(19)15(18,4)5/h6-8H,9H2,1-5H3,(H,17,19)
InChIKeyKIQWGTRWIBBGQT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds2

About 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 102879746) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID102879746
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cncc(CN2C(=O)C(C)(C)NC(=O)C2(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-10-6-11(8-16-7-10)9-18-13(20)14(2,3)17-12(19)15(18,4)5/h6-8H,9H2,1-5H3,(H,17,19)
InChIKeyKIQWGTRWIBBGQT-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (CID 102879746) is 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is Cc1cncc(CN2C(=O)C(C)(C)NC(=O)C2(C)C)c1.
What is the InChIKey of 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is KIQWGTRWIBBGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-6-11(8-16-7-10)9-18-13(20)14(2,3)17-12(19)15(18,4)5/h6-8H,9H2,1-5H3,(H,17,19).
What are the key properties of 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 102879746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).