1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione

C14H17BrN2O3 — CID 82860351

IUPAC1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCOc1cc(Br)cc(N2CC(=O)NC(C(C)C)C2=O)c1
InChIInChI=1S/C14H17BrN2O3/c1-8(2)13-14(19)17(7-12(18)16-13)10-4-9(15)5-11(6-10)20-3/h4-6,8,13H,7H2,1-3H3,(H,16,18)
InChIKeyZWSVSYKFMLGVGJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.95
Rot. Bonds3

About 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione

1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 82860351) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID82860351
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCOc1cc(Br)cc(N2CC(=O)NC(C(C)C)C2=O)c1
InChIInChI=1S/C14H17BrN2O3/c1-8(2)13-14(19)17(7-12(18)16-13)10-4-9(15)5-11(6-10)20-3/h4-6,8,13H,7H2,1-3H3,(H,16,18)
InChIKeyZWSVSYKFMLGVGJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82860332
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 82859322
1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-(4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962699
1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961924
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-(3-bromo-5-methoxyphenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 82860337
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962438
1-(3-bromo-5-methoxyphenyl)-3,3-diethylpiperazine-2,5-dione
CID 82860799
9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 82860798
1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959883

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 82860351) is 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione is COc1cc(Br)cc(N2CC(=O)NC(C(C)C)C2=O)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ZWSVSYKFMLGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-8(2)13-14(19)17(7-12(18)16-13)10-4-9(15)5-11(6-10)20-3/h4-6,8,13H,7H2,1-3H3,(H,16,18).
What are the key properties of 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 341.21 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 82860351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).