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

C12H22N2O3 — CID 113383064

IUPAC1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCOC(C)CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C12H22N2O3/c1-7(2)10-11(15)13-9(4)12(16)14(10)6-8(3)17-5/h7-10H,6H2,1-5H3,(H,13,15)
InChIKeyGXTMZDDBACCJQP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.39
Rot. Bonds4

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

1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 113383064) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID113383064
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCOC(C)CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C12H22N2O3/c1-7(2)10-11(15)13-9(4)12(16)14(10)6-8(3)17-5/h7-10H,6H2,1-5H3,(H,13,15)
InChIKeyGXTMZDDBACCJQP-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 113383064) is 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is COC(C)CN1C(=O)C(C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is GXTMZDDBACCJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)10-11(15)13-9(4)12(16)14(10)6-8(3)17-5/h7-10H,6H2,1-5H3,(H,13,15).
What are the key properties of 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 113383064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).