3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione

C11H16N4O2 — CID 82872174

IUPAC3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCn1ccc(CN2CC(=O)NC(C)(C)C2=O)n1
InChIInChI=1S/C11H16N4O2/c1-11(2)10(17)15(7-9(16)12-11)6-8-4-5-14(3)13-8/h4-5H,6-7H2,1-3H3,(H,12,16)
InChIKeyXHLNOATZFMIMNR-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.34
Rot. Bonds2

About 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione

3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 82872174) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID82872174
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCn1ccc(CN2CC(=O)NC(C)(C)C2=O)n1
InChIInChI=1S/C11H16N4O2/c1-11(2)10(17)15(7-9(16)12-11)6-8-4-5-14(3)13-8/h4-5H,6-7H2,1-3H3,(H,12,16)
InChIKeyXHLNOATZFMIMNR-UHFFFAOYSA-N
XLogP-0.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64879027
1-[(6-methoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 64879597
6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871729
1-[(4-iodophenyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 65491575
3-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-one
CID 82877165
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 82872644
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64879598
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 64878842
6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871112
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
1-[(4-bromothiophen-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 64880927

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (CID 82872174) is 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is Cn1ccc(CN2CC(=O)NC(C)(C)C2=O)n1.
What is the InChIKey of 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is XHLNOATZFMIMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2)10(17)15(7-9(16)12-11)6-8-4-5-14(3)13-8/h4-5H,6-7H2,1-3H3,(H,12,16).
What are the key properties of 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 82872174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).