[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone

C18H17BrN2O3 — CID 52859810

IUPAC[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H17BrN2O3/c19-15-5-1-3-13(11-15)17(23)20-7-9-21(10-8-20)18(24)14-4-2-6-16(22)12-14/h1-6,11-12,22H,7-10H2
InChIKeyTUZFWYRUIICFTN-UHFFFAOYSA-N
MW389.25 g/mol
LogP2.75
Rot. Bonds2

About [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone

[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 52859810) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID52859810
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H17BrN2O3/c19-15-5-1-3-13(11-15)17(23)20-7-9-21(10-8-20)18(24)14-4-2-6-16(22)12-14/h1-6,11-12,22H,7-10H2
InChIKeyTUZFWYRUIICFTN-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

(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568007
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
(3-bromophenyl)-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55878769
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone (CID 52859810) is [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is TUZFWYRUIICFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-15-5-1-3-13(11-15)17(23)20-7-9-21(10-8-20)18(24)14-4-2-6-16(22)12-14/h1-6,11-12,22H,7-10H2.
What are the key properties of [4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone?
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-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-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 52859810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).