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

C16H22N2O3 — CID 64957101

IUPAC1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2ccccc2OCC)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-8-12-16(20)18(11(3)15(19)17-12)13-9-6-7-10-14(13)21-5-2/h6-7,9-12H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyRZSKQUSQDDXCRA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds5

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

1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64957101) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64957101
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2ccccc2OCC)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-8-12-16(20)18(11(3)15(19)17-12)13-9-6-7-10-14(13)21-5-2/h6-7,9-12H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyRZSKQUSQDDXCRA-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962473
1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64957192
1-(2-ethoxyphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64957042
1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962036
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64959643
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 114840981
1-(3-ethoxyphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64966817
1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64962495
6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione
CID 64960563
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 64957101) is 1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(c2ccccc2OCC)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is RZSKQUSQDDXCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-8-12-16(20)18(11(3)15(19)17-12)13-9-6-7-10-14(13)21-5-2/h6-7,9-12H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of 1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 2.11, 5 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-propylpiperazine-2,5-dione is sourced from PubChem (CID 64957101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).