1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione

C12H22N2O2 — CID 64902229

IUPAC1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC(C)C)N(CC)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-9-12(16)14(6-2)10(7-8(3)4)11(15)13-9/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyPGQBMLKBKGYDAS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione

1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64902229) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64902229
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC(C)C)N(CC)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-9-12(16)14(6-2)10(7-8(3)4)11(15)13-9/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyPGQBMLKBKGYDAS-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902612
3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64903189
1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 82924934
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
CID 116645570
3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 20676238

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 64902229) is 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione is CCC1NC(=O)C(CC(C)C)N(CC)C1=O.
What is the InChIKey of 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is PGQBMLKBKGYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-9-12(16)14(6-2)10(7-8(3)4)11(15)13-9/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione?
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).