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

C16H23N3O2 — CID 102879734

IUPAC6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cncc(CN2C(=O)C(C)NC(=O)C2C(C)(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-10-6-12(8-17-7-10)9-19-13(16(3,4)5)14(20)18-11(2)15(19)21/h6-8,11,13H,9H2,1-5H3,(H,18,20)
InChIKeyJJMVCSUPTBPMDM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds2

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

6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 102879734) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID102879734
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cncc(CN2C(=O)C(C)NC(=O)C2C(C)(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-10-6-12(8-17-7-10)9-19-13(16(3,4)5)14(20)18-11(2)15(19)21/h6-8,11,13H,9H2,1-5H3,(H,18,20)
InChIKeyJJMVCSUPTBPMDM-UHFFFAOYSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (CID 102879734) is 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is Cc1cncc(CN2C(=O)C(C)NC(=O)C2C(C)(C)C)c1.
What is the InChIKey of 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is JJMVCSUPTBPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-6-12(8-17-7-10)9-19-13(16(3,4)5)14(20)18-11(2)15(19)21/h6-8,11,13H,9H2,1-5H3,(H,18,20).
What are the key properties of 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 102879734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).