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

C16H17BrN2O2S — CID 17173770

IUPAC(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(Br)cs3)CC2)c1
InChIInChI=1S/C16H17BrN2O2S/c1-21-14-4-2-3-13(10-14)18-5-7-19(8-6-18)16(20)15-9-12(17)11-22-15/h2-4,9-11H,5-8H2,1H3
InChIKeyVFQSDSICCCFSDX-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.48
Rot. Bonds3

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

(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 17173770) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID17173770
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(Br)cs3)CC2)c1
InChIInChI=1S/C16H17BrN2O2S/c1-21-14-4-2-3-13(10-14)18-5-7-19(8-6-18)16(20)15-9-12(17)11-22-15/h2-4,9-11H,5-8H2,1H3
InChIKeyVFQSDSICCCFSDX-UHFFFAOYSA-N
XLogP3.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)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

(4,5-dibromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573712
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 4827191
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 38125181
(2-ethyl-1,3-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 48572330
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573949
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(4-bromothiophen-2-yl)-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346657
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 1375734
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119829444
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 17173770) is (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(Br)cs3)CC2)c1.
What is the InChIKey of (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VFQSDSICCCFSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-21-14-4-2-3-13(10-14)18-5-7-19(8-6-18)16(20)15-9-12(17)11-22-15/h2-4,9-11H,5-8H2,1H3.
What are the key properties of (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 381.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17173770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).