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

C15H24N4O2 — CID 103016822

IUPAC6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)(C)C)N(CCc2ccnn2C)C1=O
InChIInChI=1S/C15H24N4O2/c1-10-14(21)19(9-7-11-6-8-16-18(11)5)12(13(20)17-10)15(2,3)4/h6,8,10,12H,7,9H2,1-5H3,(H,17,20)
InChIKeyAKLSKLMILLXBOX-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.72
Rot. Bonds3

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

6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione (PubChem CID 103016822) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione
PubChem CID103016822
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)(C)C)N(CCc2ccnn2C)C1=O
InChIInChI=1S/C15H24N4O2/c1-10-14(21)19(9-7-11-6-8-16-18(11)5)12(13(20)17-10)15(2,3)4/h6,8,10,12H,7,9H2,1-5H3,(H,17,20)
InChIKeyAKLSKLMILLXBOX-UHFFFAOYSA-N
XLogP0.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943709
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198
1-[(5-bromo-2-pyridinyl)methyl]-6-tert-butyl-3-methylpiperazine-2,5-dione
CID 104812699
6-tert-butyl-3-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874333
6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873934
6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 103016837
3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one
CID 103015543
4-(2-methylpyrazol-3-yl)butanal
CID 103014880
3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane
CID 103016739
3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635
1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one
CID 103012757

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione (CID 103016822) is 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione is CC1NC(=O)C(C(C)(C)C)N(CCc2ccnn2C)C1=O.
What is the InChIKey of 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione?
The InChIKey is AKLSKLMILLXBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-14(21)19(9-7-11-6-8-16-18(11)5)12(13(20)17-10)15(2,3)4/h6,8,10,12H,7,9H2,1-5H3,(H,17,20).
What are the key properties of 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione?
6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 103016822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).