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

C15H20N2O3 — CID 64959643

IUPAC1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2cccc(OC)c2)C1=O
InChIInChI=1S/C15H20N2O3/c1-4-6-13-15(19)17(10(2)14(18)16-13)11-7-5-8-12(9-11)20-3/h5,7-10,13H,4,6H2,1-3H3,(H,16,18)
InChIKeyZHJMHOCJPKTORR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds4

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

1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64959643) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64959643
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2cccc(OC)c2)C1=O
InChIInChI=1S/C15H20N2O3/c1-4-6-13-15(19)17(10(2)14(18)16-13)11-7-5-8-12(9-11)20-3/h5,7-10,13H,4,6H2,1-3H3,(H,16,18)
InChIKeyZHJMHOCJPKTORR-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64955852
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204
1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64957101
1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962473
6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione
CID 64960563
3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
1-(3-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64961542
1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962036

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 64959643) is 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(c2cccc(OC)c2)C1=O.
What is the InChIKey of 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is ZHJMHOCJPKTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-6-13-15(19)17(10(2)14(18)16-13)11-7-5-8-12(9-11)20-3/h5,7-10,13H,4,6H2,1-3H3,(H,16,18).
What are the key properties of 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64959643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).