[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

C19H19BrN2O4 — CID 60599091

IUPAC[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3O)CC2)c1
InChIInChI=1S/C19H19BrN2O4/c1-26-15-4-2-3-13(11-15)18(24)21-7-9-22(10-8-21)19(25)16-6-5-14(20)12-17(16)23/h2-6,11-12,23H,7-10H2,1H3
InChIKeyOUUCNNQBZVNRJL-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.76
Rot. Bonds3

About [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 60599091) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID60599091
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3O)CC2)c1
InChIInChI=1S/C19H19BrN2O4/c1-26-15-4-2-3-13(11-15)18(24)21-7-9-22(10-8-21)19(25)16-6-5-14(20)12-17(16)23/h2-6,11-12,23H,7-10H2,1H3
InChIKeyOUUCNNQBZVNRJL-UHFFFAOYSA-N
XLogP2.76
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 38046701
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92769784
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 108533598
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33185375

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 60599091) is [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3O)CC2)c1.
What is the InChIKey of [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is OUUCNNQBZVNRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-26-15-4-2-3-13(11-15)18(24)21-7-9-22(10-8-21)19(25)16-6-5-14(20)12-17(16)23/h2-6,11-12,23H,7-10H2,1H3.
What are the key properties of [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 419.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 60599091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).