1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone

C14H17BrN2O3 — CID 60776283

IUPAC1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H17BrN2O3/c1-20-10-13(18)16-5-7-17(8-6-16)14(19)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3
InChIKeyFHZAFWZAJTUVCK-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.38
Rot. Bonds3

About 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 60776283) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID60776283
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H17BrN2O3/c1-20-10-13(18)16-5-7-17(8-6-16)14(19)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3
InChIKeyFHZAFWZAJTUVCK-UHFFFAOYSA-N
XLogP1.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547620
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568007
1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103841681
1-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108545336
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 110603342
1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103882529
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 108537013
1-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776285
2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 38046701
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(3-bromophenyl)-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544504

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone (CID 60776283) is 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is FHZAFWZAJTUVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-20-10-13(18)16-5-7-17(8-6-16)14(19)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 341.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 60776283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).