[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone

C18H17BrN2O3 — CID 108534141

IUPAC[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H17BrN2O3/c19-15-7-3-1-5-13(15)17(23)20-9-11-21(12-10-20)18(24)14-6-2-4-8-16(14)22/h1-8,22H,9-12H2
InChIKeyJLVRGKNTQDAIEA-UHFFFAOYSA-N
MW389.25 g/mol
LogP2.75
Rot. Bonds2

About [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone

[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 108534141) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID108534141
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H17BrN2O3/c19-15-7-3-1-5-13(15)17(23)20-9-11-21(12-10-20)18(24)14-6-2-4-8-16(14)22/h1-8,22H,9-12H2
InChIKeyJLVRGKNTQDAIEA-UHFFFAOYSA-N
XLogP2.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
1-[4-(2-bromobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817935
[4-(2-bromobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38460982
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422478
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 4197807
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone (CID 108534141) is [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)N1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is JLVRGKNTQDAIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-15-7-3-1-5-13(15)17(23)20-9-11-21(12-10-20)18(24)14-6-2-4-8-16(14)22/h1-8,22H,9-12H2.
What are the key properties of [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 389.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 108534141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).