3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione

C12H22N2O2 — CID 64872902

IUPAC3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C12H22N2O2/c1-7(2)6-14-10(8(3)4)11(15)13-9(5)12(14)16/h7-10H,6H2,1-5H3,(H,13,15)
InChIKeyOJHDKCQFKLZGKD-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.01
Rot. Bonds3

About 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64872902) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64872902
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C12H22N2O2/c1-7(2)6-14-10(8(3)4)11(15)13-9(5)12(14)16/h7-10H,6H2,1-5H3,(H,13,15)
InChIKeyOJHDKCQFKLZGKD-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64872902) is 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)CN1C(=O)C(C)NC(=O)C1C(C)C.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is OJHDKCQFKLZGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7(2)6-14-10(8(3)4)11(15)13-9(5)12(14)16/h7-10H,6H2,1-5H3,(H,13,15).
What are the key properties of 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64872902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).