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

C14H19N3O2 — CID 79260645

IUPAC3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cccc(CN2C(=O)C(C)NC(=O)C2(C)C)n1
InChIInChI=1S/C14H19N3O2/c1-9-6-5-7-11(15-9)8-17-12(18)10(2)16-13(19)14(17,3)4/h5-7,10H,8H2,1-4H3,(H,16,19)
InChIKeyCAZQKYATJWPFOQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.02
Rot. Bonds2

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

3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 79260645) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID79260645
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cccc(CN2C(=O)C(C)NC(=O)C2(C)C)n1
InChIInChI=1S/C14H19N3O2/c1-9-6-5-7-11(15-9)8-17-12(18)10(2)16-13(19)14(17,3)4/h5-7,10H,8H2,1-4H3,(H,16,19)
InChIKeyCAZQKYATJWPFOQ-UHFFFAOYSA-N
XLogP1.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (CID 79260645) is 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is Cc1cccc(CN2C(=O)C(C)NC(=O)C2(C)C)n1.
What is the InChIKey of 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is CAZQKYATJWPFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-6-5-7-11(15-9)8-17-12(18)10(2)16-13(19)14(17,3)4/h5-7,10H,8H2,1-4H3,(H,16,19).
What are the key properties of 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 79260645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).