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

C13H17N3O2 — CID 79260717

IUPAC3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione
SMILESCc1cccc(CN2C(=O)CNC(C)(C)C2=O)n1
InChIInChI=1S/C13H17N3O2/c1-9-5-4-6-10(15-9)8-16-11(17)7-14-13(2,3)12(16)18/h4-6,14H,7-8H2,1-3H3
InChIKeyLRCAHXIBYCLKJP-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.63
Rot. Bonds2

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

3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione (PubChem CID 79260717) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione
PubChem CID79260717
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione
SMILESCc1cccc(CN2C(=O)CNC(C)(C)C2=O)n1
InChIInChI=1S/C13H17N3O2/c1-9-5-4-6-10(15-9)8-16-11(17)7-14-13(2,3)12(16)18/h4-6,14H,7-8H2,1-3H3
InChIKeyLRCAHXIBYCLKJP-UHFFFAOYSA-N
XLogP0.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione (CID 79260717) is 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione is Cc1cccc(CN2C(=O)CNC(C)(C)C2=O)n1.
What is the InChIKey of 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione?
The InChIKey is LRCAHXIBYCLKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-5-4-6-10(15-9)8-16-11(17)7-14-13(2,3)12(16)18/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione?
3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione has a molecular weight of 247.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 79260717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).