1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione

C15H20N2O3 — CID 66243258

IUPAC1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1ccc(C(C)N2C(=O)C(C)NC(=O)C2C)cc1
InChIInChI=1S/C15H20N2O3/c1-9-15(19)17(11(3)14(18)16-9)10(2)12-5-7-13(20-4)8-6-12/h5-11H,1-4H3,(H,16,18)
InChIKeyLFRRKWRMLXHFMA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.49
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione

1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 66243258) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID66243258
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1ccc(C(C)N2C(=O)C(C)NC(=O)C2C)cc1
InChIInChI=1S/C15H20N2O3/c1-9-15(19)17(11(3)14(18)16-9)10(2)12-5-7-13(20-4)8-6-12/h5-11H,1-4H3,(H,16,18)
InChIKeyLFRRKWRMLXHFMA-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione (CID 66243258) is 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione is COc1ccc(C(C)N2C(=O)C(C)NC(=O)C2C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is LFRRKWRMLXHFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-15(19)17(11(3)14(18)16-9)10(2)12-5-7-13(20-4)8-6-12/h5-11H,1-4H3,(H,16,18).
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 66243258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).