(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

C16H16BrClN2OS — CID 26756626

IUPAC(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16BrClN2OS/c17-15-6-5-14(22-15)16(21)20-9-7-19(8-10-20)11-12-1-3-13(18)4-2-12/h1-6H,7-11H2
InChIKeyIEZMCEIYYIYDCN-UHFFFAOYSA-N
MW399.74 g/mol
LogP4.12
Rot. Bonds3

About (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 26756626) has the molecular formula C16H16BrClN2OS and a molecular weight of 399.74 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID26756626
Molecular FormulaC16H16BrClN2OS
Molecular Weight399.74 g/mol
Exact Mass397.99
IUPAC Name(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16BrClN2OS/c17-15-6-5-14(22-15)16(21)20-9-7-19(8-10-20)11-12-1-3-13(18)4-2-12/h1-6H,7-11H2
InChIKeyIEZMCEIYYIYDCN-UHFFFAOYSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.74
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]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-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55473850
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 8624033
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
methyl 2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]acetate
CID 61075431
methyl 5-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]thiophene-2-carboxylate
CID 38770782
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-chloro-2-fluorophenyl)methanone
CID 55415388
(5-chlorothiophen-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 112810429
[4-[1-(5-bromothiophene-2-carbonyl)-4-hydroxypyrrolidin-3-yl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 68510198
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325548
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 26756626) is (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Br)s1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is IEZMCEIYYIYDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2OS/c17-15-6-5-14(22-15)16(21)20-9-7-19(8-10-20)11-12-1-3-13(18)4-2-12/h1-6H,7-11H2.
What are the key properties of (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 399.74 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 26756626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).