3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione

C16H23N3O2 — CID 114702135

IUPAC3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cnccc1CN1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C16H23N3O2/c1-10-8-17-7-6-12(10)9-19-11(2)14(20)18-13(15(19)21)16(3,4)5/h6-8,11,13H,9H2,1-5H3,(H,18,20)
InChIKeyCPUZKHBWGNNEFA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds2

About 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione

3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 114702135) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID114702135
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cnccc1CN1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C16H23N3O2/c1-10-8-17-7-6-12(10)9-19-11(2)14(20)18-13(15(19)21)16(3,4)5/h6-8,11,13H,9H2,1-5H3,(H,18,20)
InChIKeyCPUZKHBWGNNEFA-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 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione (CID 114702135) is 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione is Cc1cnccc1CN1C(=O)C(C(C)(C)C)NC(=O)C1C.
What is the InChIKey of 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is CPUZKHBWGNNEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-8-17-7-6-12(10)9-19-11(2)14(20)18-13(15(19)21)16(3,4)5/h6-8,11,13H,9H2,1-5H3,(H,18,20).
What are the key properties of 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-[(3-methyl-4-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 3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 114702135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).