(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone

C11H15BrN2OS — CID 71877365

IUPAC(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-8-7-13(2)5-6-14(8)11(15)9-3-4-10(12)16-9/h3-4,8H,5-7H2,1-2H3
InChIKeyJSPZONMAXWPSTG-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.29
Rot. Bonds1

About (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone

(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 71877365) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID71877365
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-8-7-13(2)5-6-14(8)11(15)9-3-4-10(12)16-9/h3-4,8H,5-7H2,1-2H3
InChIKeyJSPZONMAXWPSTG-UHFFFAOYSA-N
XLogP2.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705475
(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 127431518
1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877088
(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
CID 71877252
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-bromothiophen-2-yl)methanone
CID 60630423
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168
(5-bromothiophen-2-yl)-(3-hydroxy-4,4-dimethylpiperidin-1-yl)methanone
CID 115276716
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 106839488
4-(5-bromothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061181

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone (CID 71877365) is (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone is CC1CN(C)CCN1C(=O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is JSPZONMAXWPSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-8-7-13(2)5-6-14(8)11(15)9-3-4-10(12)16-9/h3-4,8H,5-7H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 303.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 71877365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).