3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

C13H20N4O2 — CID 64873297

IUPAC3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CCn2cccn2)C1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)11-12(18)15-10(3)13(19)17(11)8-7-16-6-4-5-14-16/h4-6,9-11H,7-8H2,1-3H3,(H,15,18)
InChIKeyADDNXFNFLSMORA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.25
Rot. Bonds4

About 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione

3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (PubChem CID 64873297) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
PubChem CID64873297
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CCn2cccn2)C1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)11-12(18)15-10(3)13(19)17(11)8-7-16-6-4-5-14-16/h4-6,9-11H,7-8H2,1-3H3,(H,15,18)
InChIKeyADDNXFNFLSMORA-UHFFFAOYSA-N
XLogP0.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64872707
3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64874084
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970004
1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 82748766
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
1-(2-cyclopentyloxyethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64971200
1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 113383064
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64874080
3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64903177
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64972282

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione (CID 64873297) is 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(CCn2cccn2)C1=O.
What is the InChIKey of 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
The InChIKey is ADDNXFNFLSMORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)11-12(18)15-10(3)13(19)17(11)8-7-16-6-4-5-14-16/h4-6,9-11H,7-8H2,1-3H3,(H,15,18).
What are the key properties of 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione?
3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64873297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).