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

C15H21N3O2 — CID 79260905

IUPAC3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(Cc2cccc(C)n2)C1=O
InChIInChI=1S/C15H21N3O2/c1-5-12-13(19)18(15(3,4)14(20)17-12)9-11-8-6-7-10(2)16-11/h6-8,12H,5,9H2,1-4H3,(H,17,20)
InChIKeyFZNHLHZQWWYFTC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds3

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

3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 79260905) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID79260905
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(Cc2cccc(C)n2)C1=O
InChIInChI=1S/C15H21N3O2/c1-5-12-13(19)18(15(3,4)14(20)17-12)9-11-8-6-7-10(2)16-11/h6-8,12H,5,9H2,1-4H3,(H,17,20)
InChIKeyFZNHLHZQWWYFTC-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (CID 79260905) is 3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(Cc2cccc(C)n2)C1=O.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is FZNHLHZQWWYFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-12-13(19)18(15(3,4)14(20)17-12)9-11-8-6-7-10(2)16-11/h6-8,12H,5,9H2,1-4H3,(H,17,20).
What are the key properties of 3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 79260905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).