6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione

C12H22N2O3 — CID 113473194

IUPAC6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)C(=O)N1C(C)COC
InChIInChI=1S/C12H22N2O3/c1-6-12(4)11(16)13-9(3)10(15)14(12)8(2)7-17-5/h8-9H,6-7H2,1-5H3,(H,13,16)
InChIKeyYQVUFLJTDYWCKI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds4

About 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione

6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 113473194) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID113473194
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)C(=O)N1C(C)COC
InChIInChI=1S/C12H22N2O3/c1-6-12(4)11(16)13-9(3)10(15)14(12)8(2)7-17-5/h8-9H,6-7H2,1-5H3,(H,13,16)
InChIKeyYQVUFLJTDYWCKI-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione (CID 113473194) is 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione is CCC1(C)C(=O)NC(C)C(=O)N1C(C)COC.
What is the InChIKey of 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is YQVUFLJTDYWCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-12(4)11(16)13-9(3)10(15)14(12)8(2)7-17-5/h8-9H,6-7H2,1-5H3,(H,13,16).
What are the key properties of 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 113473194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).