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

C12H18N4O2 — CID 82871112

IUPAC6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1ccn(C)n1
InChIInChI=1S/C12H18N4O2/c1-4-12(2)11(18)13-7-10(17)16(12)8-9-5-6-15(3)14-9/h5-6H,4,7-8H2,1-3H3,(H,13,18)
InChIKeyDOIYNRYISKSDDW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.05
Rot. Bonds3

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

6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 82871112) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID82871112
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1ccn(C)n1
InChIInChI=1S/C12H18N4O2/c1-4-12(2)11(18)13-7-10(17)16(12)8-9-5-6-15(3)14-9/h5-6H,4,7-8H2,1-3H3,(H,13,18)
InChIKeyDOIYNRYISKSDDW-UHFFFAOYSA-N
XLogP0.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (CID 82871112) is 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is CCC1(C)C(=O)NCC(=O)N1Cc1ccn(C)n1.
What is the InChIKey of 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is DOIYNRYISKSDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-12(2)11(18)13-7-10(17)16(12)8-9-5-6-15(3)14-9/h5-6H,4,7-8H2,1-3H3,(H,13,18).
What are the key properties of 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 82871112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).