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

C15H16BrN3O2 — CID 43461710

IUPAC[4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESNc1cccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)c1
InChIInChI=1S/C15H16BrN3O2/c16-14-5-4-13(21-14)15(20)19-8-6-18(7-9-19)12-3-1-2-11(17)10-12/h1-5,10H,6-9,17H2
InChIKeyKJXSVPRKUUTNAQ-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.59
Rot. Bonds2

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

[4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone (PubChem CID 43461710) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
PubChem CID43461710
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name[4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESNc1cccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)c1
InChIInChI=1S/C15H16BrN3O2/c16-14-5-4-13(21-14)15(20)19-8-6-18(7-9-19)12-3-1-2-11(17)10-12/h1-5,10H,6-9,17H2
InChIKeyKJXSVPRKUUTNAQ-UHFFFAOYSA-N
XLogP2.59
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461882
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896003
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
(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292373
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 38701176
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
[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
2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 55200605
(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 30867934

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The IUPAC name of [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone (CID 43461710) is [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The canonical SMILES for [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone is Nc1cccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)c1.
What is the InChIKey of [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The InChIKey is KJXSVPRKUUTNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-14-5-4-13(21-14)15(20)19-8-6-18(7-9-19)12-3-1-2-11(17)10-12/h1-5,10H,6-9,17H2.
What are the key properties of [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone?
[4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone has a molecular weight of 350.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 43461710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).