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

C14H22N4O2 — CID 82871729

IUPAC6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1ccn(C)n1
InChIInChI=1S/C14H22N4O2/c1-6-14(4)11(19)15-13(2,3)12(20)18(14)9-10-7-8-17(5)16-10/h7-8H,6,9H2,1-5H3,(H,15,19)
InChIKeyAGJBKMQIXUEIIE-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.83
Rot. Bonds3

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

6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 82871729) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID82871729
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1ccn(C)n1
InChIInChI=1S/C14H22N4O2/c1-6-14(4)11(19)15-13(2,3)12(20)18(14)9-10-7-8-17(5)16-10/h7-8H,6,9H2,1-5H3,(H,15,19)
InChIKeyAGJBKMQIXUEIIE-UHFFFAOYSA-N
XLogP0.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione (CID 82871729) is 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is CCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1ccn(C)n1.
What is the InChIKey of 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is AGJBKMQIXUEIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-6-14(4)11(19)15-13(2,3)12(20)18(14)9-10-7-8-17(5)16-10/h7-8H,6,9H2,1-5H3,(H,15,19).
What are the key properties of 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione?
6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 82871729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).