3-methyl-6-(2-methylpropyl)piperazine-2,5-dione

C9H16N2O2 — CID 3634567

IUPAC3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)NC1=O
InChIInChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyDBJPZCJQDRPOME-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.04
Rot. Bonds2

About 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione

3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 3634567) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID3634567
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)NC1=O
InChIInChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyDBJPZCJQDRPOME-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 3634567) is 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)NC1=O.
What is the InChIKey of 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is DBJPZCJQDRPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
3-methyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 3634567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).