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

C16H22N2O3 — CID 64957192

IUPAC1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C16H22N2O3/c1-5-21-13-9-7-6-8-12(13)18-11(4)15(19)17-14(10(2)3)16(18)20/h6-11,14H,5H2,1-4H3,(H,17,19)
InChIKeyHFYWOBMLGXBDQO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds4

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

1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64957192) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64957192
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C16H22N2O3/c1-5-21-13-9-7-6-8-12(13)18-11(4)15(19)17-14(10(2)3)16(18)20/h6-11,14H,5H2,1-4H3,(H,17,19)
InChIKeyHFYWOBMLGXBDQO-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64957101
3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
CID 64959451
1-(2-bromo-3-chlorophenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 103481750
1-(2-chloro-4-fluorophenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64961468
6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959513
6-methyl-3-propan-2-yl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956449
6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961845
6-methyl-1-[1-(2-methylphenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966064
1-(5-bromo-2-fluorophenyl)-3-butan-2-yl-6-methylpiperazine-2,5-dione
CID 64961174
1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 82934843
1-(2-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958027
1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64967279

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 64957192) is 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is CCOc1ccccc1N1C(=O)C(C(C)C)NC(=O)C1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is HFYWOBMLGXBDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-21-13-9-7-6-8-12(13)18-11(4)15(19)17-14(10(2)3)16(18)20/h6-11,14H,5H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64957192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).