1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one

C14H17BrN2O2 — CID 52867615

IUPAC1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H17BrN2O2/c1-2-13(18)16-7-9-17(10-8-16)14(19)11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3
InChIKeyOEJZVQKYTLUKOQ-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.14
Rot. Bonds2

About 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one

1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 52867615) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
PubChem CID52867615
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H17BrN2O2/c1-2-13(18)16-7-9-17(10-8-16)14(19)11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3
InChIKeyOEJZVQKYTLUKOQ-UHFFFAOYSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422478
1-[4-(2-bromobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817935
3-[4-(2-bromobenzoyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543294
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 134020932
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
[4-(2-bromobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38460982
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one (CID 52867615) is 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is OEJZVQKYTLUKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-13(18)16-7-9-17(10-8-16)14(19)11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one?
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 325.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 52867615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).