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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Related Compounds

6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879726
6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873934
6-tert-butyl-3-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874333
1-[(5-bromo-2-pyridinyl)methyl]-6-tert-butyl-3-methylpiperazine-2,5-dione
CID 104812699
6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943709
3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one
CID 102878684
3-cyclopropyl-7-methyl-1-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 102879830
3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879760
1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
CID 64902852
6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione
CID 103016822
6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879738
1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879797

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).