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

C16H17BrN2OS — CID 60778169

IUPAC(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C16H17BrN2OS/c1-12-4-2-3-5-14(12)18-7-9-19(10-8-18)16(20)15-13(17)6-11-21-15/h2-6,11H,7-10H2,1H3
InChIKeyHSUXTMVUINQFTC-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.78
Rot. Bonds2

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

(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 60778169) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID60778169
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC Name(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C16H17BrN2OS/c1-12-4-2-3-5-14(12)18-7-9-19(10-8-18)16(20)15-13(17)6-11-21-15/h2-6,11H,7-10H2,1H3
InChIKeyHSUXTMVUINQFTC-UHFFFAOYSA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55226864
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
(3-bromothiophen-2-yl)-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenyl]piperazin-1-yl]methanone
CID 166065139
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
[4-(2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 46856970
(3-bromothiophen-2-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 130616054
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 60778169) is (3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2sccc2Br)CC1.
What is the InChIKey of (3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is HSUXTMVUINQFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-12-4-2-3-5-14(12)18-7-9-19(10-8-18)16(20)15-13(17)6-11-21-15/h2-6,11H,7-10H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 365.30 g/mol, XLogP of 3.78, 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-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60778169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).