1,4-bis(2-methylpropyl)piperazine-2,5-dione

C12H22N2O2 — CID 58851024

IUPAC1,4-bis(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CN1CC(=O)N(CC(C)C)CC1=O
InChIInChI=1S/C12H22N2O2/c1-9(2)5-13-7-12(16)14(6-10(3)4)8-11(13)15/h9-10H,5-8H2,1-4H3
InChIKeyZWHWFUTZAAOVEN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.97
Rot. Bonds4

About 1,4-bis(2-methylpropyl)piperazine-2,5-dione

1,4-bis(2-methylpropyl)piperazine-2,5-dione (PubChem CID 58851024) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,4-bis(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(2-methylpropyl)piperazine-2,5-dione
PubChem CID58851024
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,4-bis(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CN1CC(=O)N(CC(C)C)CC1=O
InChIInChI=1S/C12H22N2O2/c1-9(2)5-13-7-12(16)14(6-10(3)4)8-11(13)15/h9-10H,5-8H2,1-4H3
InChIKeyZWHWFUTZAAOVEN-UHFFFAOYSA-N
XLogP0.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(2-methylpropyl)piperazine-2,5-dione (CID 58851024) is 1,4-bis(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(2-methylpropyl)piperazine-2,5-dione is CC(C)CN1CC(=O)N(CC(C)C)CC1=O.
What is the InChIKey of 1,4-bis(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is ZWHWFUTZAAOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)5-13-7-12(16)14(6-10(3)4)8-11(13)15/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,4-bis(2-methylpropyl)piperazine-2,5-dione?
1,4-bis(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 58851024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).