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

C15H24N4O2 — CID 82872513

IUPAC6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1Cc1ccn(C)n1
InChIInChI=1S/C15H24N4O2/c1-5-13-14(20)16-12(8-10(2)3)15(21)19(13)9-11-6-7-18(4)17-11/h6-7,10,12-13H,5,8-9H2,1-4H3,(H,16,20)
InChIKeyOGMNRHHMRFZIJT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.07
Rot. Bonds5

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

6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 82872513) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID82872513
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1Cc1ccn(C)n1
InChIInChI=1S/C15H24N4O2/c1-5-13-14(20)16-12(8-10(2)3)15(21)19(13)9-11-6-7-18(4)17-11/h6-7,10,12-13H,5,8-9H2,1-4H3,(H,16,20)
InChIKeyOGMNRHHMRFZIJT-UHFFFAOYSA-N
XLogP1.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64902486
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64875259
6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
CID 82870546
6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
CID 116645570
6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 114469767
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82870547

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (CID 82872513) is 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(CC(C)C)C(=O)N1Cc1ccn(C)n1.
What is the InChIKey of 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is OGMNRHHMRFZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-13-14(20)16-12(8-10(2)3)15(21)19(13)9-11-6-7-18(4)17-11/h6-7,10,12-13H,5,8-9H2,1-4H3,(H,16,20).
What are the key properties of 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 82872513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).