(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone

C18H19BrN2O5 — CID 32823800

IUPAC(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1
InChIInChI=1S/C18H19BrN2O5/c1-24-13-9-12(10-14(11-13)25-2)17(22)20-5-7-21(8-6-20)18(23)15-3-4-16(19)26-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeySHQJVMBTJQCMFA-UHFFFAOYSA-N
MW423.26 g/mol
LogP2.66
Rot. Bonds4

About (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone

(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 32823800) has the molecular formula C18H19BrN2O5 and a molecular weight of 423.26 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
PubChem CID32823800
Molecular FormulaC18H19BrN2O5
Molecular Weight423.26 g/mol
Exact Mass422.05
IUPAC Name(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1
InChIInChI=1S/C18H19BrN2O5/c1-24-13-9-12(10-14(11-13)25-2)17(22)20-5-7-21(8-6-20)18(23)15-3-4-16(19)26-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeySHQJVMBTJQCMFA-UHFFFAOYSA-N
XLogP2.66
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17128006
(5-bromofuran-2-yl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545693
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550325
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110814815
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 39493722
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108545851
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone
CID 108545866
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 32824583
(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32824162

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone (CID 32823800) is (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is SHQJVMBTJQCMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5/c1-24-13-9-12(10-14(11-13)25-2)17(22)20-5-7-21(8-6-20)18(23)15-3-4-16(19)26-15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 423.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32823800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).