1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone

C14H16Br2N2O3 — CID 103882529

IUPAC1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H16Br2N2O3/c1-21-9-13(19)17-4-6-18(7-5-17)14(20)11-3-2-10(15)8-12(11)16/h2-3,8H,4-7,9H2,1H3
InChIKeyJLCBQSOLMOGBCD-UHFFFAOYSA-N
MW420.10 g/mol
LogP2.14
Rot. Bonds3

About 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 103882529) has the molecular formula C14H16Br2N2O3 and a molecular weight of 420.10 g/mol. Its IUPAC name is 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID103882529
Molecular FormulaC14H16Br2N2O3
Molecular Weight420.10 g/mol
Exact Mass417.95
IUPAC Name1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H16Br2N2O3/c1-21-9-13(19)17-4-6-18(7-5-17)14(20)11-3-2-10(15)8-12(11)16/h2-3,8H,4-7,9H2,1H3
InChIKeyJLCBQSOLMOGBCD-UHFFFAOYSA-N
XLogP2.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.10
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776285
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
1-[4-(2-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 78891868
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
1-[4-(3-bromo-2-fluorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 106547862
4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
CID 103882891
1-[4-(2,4-diaminobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 61110043
1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 106853497
1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103841681
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
1-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60776287

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone (CID 103882529) is 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is JLCBQSOLMOGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O3/c1-21-9-13(19)17-4-6-18(7-5-17)14(20)11-3-2-10(15)8-12(11)16/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 420.10 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 103882529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).