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

C15H14BrClN2OS — CID 60790381

IUPAC(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1sccc1Br)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H14BrClN2OS/c16-13-5-10-21-14(13)15(20)19-8-6-18(7-9-19)12-3-1-11(17)2-4-12/h1-5,10H,6-9H2
InChIKeySTNJWDBPKZCITF-UHFFFAOYSA-N
MW385.71 g/mol
LogP4.13
Rot. Bonds2

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

(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 60790381) has the molecular formula C15H14BrClN2OS and a molecular weight of 385.71 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID60790381
Molecular FormulaC15H14BrClN2OS
Molecular Weight385.71 g/mol
Exact Mass383.97
IUPAC Name(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1sccc1Br)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H14BrClN2OS/c16-13-5-10-21-14(13)15(20)19-8-6-18(7-9-19)12-3-1-11(17)2-4-12/h1-5,10H,6-9H2
InChIKeySTNJWDBPKZCITF-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 60778169
(3-chlorothiophen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856426
(3-bromothiophen-2-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 130616054
8-azaspiro[4.5]decan-8-yl-(3-bromothiophen-2-yl)methanone
CID 63801298
[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
CID 20877123
(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754580
1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
CID 63464192
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
[4-(4-chlorophenyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 1247359
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115970006
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 60790381) is (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone is O=C(c1sccc1Br)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is STNJWDBPKZCITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2OS/c16-13-5-10-21-14(13)15(20)19-8-6-18(7-9-19)12-3-1-11(17)2-4-12/h1-5,10H,6-9H2.
What are the key properties of (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 385.71 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60790381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).