3-methyl-1-(2-methylpropyl)piperazine-2,6-dione

C9H16N2O2 — CID 66075671

IUPAC3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
SMILESCC(C)CN1C(=O)CNC(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-6(2)5-11-8(12)4-10-7(3)9(11)13/h6-7,10H,4-5H2,1-3H3
InChIKeyDZCQSUJJTBOEDN-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds2

About 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione

3-methyl-1-(2-methylpropyl)piperazine-2,6-dione (PubChem CID 66075671) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
PubChem CID66075671
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
SMILESCC(C)CN1C(=O)CNC(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-6(2)5-11-8(12)4-10-7(3)9(11)13/h6-7,10H,4-5H2,1-3H3
InChIKeyDZCQSUJJTBOEDN-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 66073544
1-but-3-ynyl-3-methylpiperazine-2,6-dione
CID 66076454
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66074316
1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione
CID 66075679
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
CID 112591354
3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione
CID 66074717
3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione
CID 103137992
3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,6-dione
CID 116617523
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
CID 66075288
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,6-dione
CID 66074319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione (CID 66075671) is 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione is CC(C)CN1C(=O)CNC(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione?
The InChIKey is DZCQSUJJTBOEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)5-11-8(12)4-10-7(3)9(11)13/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione?
3-methyl-1-(2-methylpropyl)piperazine-2,6-dione has a molecular weight of 184.24 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)piperazine-2,6-dione is sourced from PubChem (CID 66075671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).