1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione

C14H17BrN2O2S — CID 106046041

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1CCc1ccc(Br)s1
InChIInChI=1S/C14H17BrN2O2S/c1-8-13(18)16-12(9-2-3-9)14(19)17(8)7-6-10-4-5-11(15)20-10/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyRNMJMCSUSQGSMK-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione

1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione (PubChem CID 106046041) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
PubChem CID106046041
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1CCc1ccc(Br)s1
InChIInChI=1S/C14H17BrN2O2S/c1-8-13(18)16-12(9-2-3-9)14(19)17(8)7-6-10-4-5-11(15)20-10/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyRNMJMCSUSQGSMK-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106046035
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885616
3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962391
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
3-cyclopropyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64887519
3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64887135
3-cyclopropyl-1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960096
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 106045989
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 106046056
3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64884033
1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione (CID 106046041) is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione is CC1C(=O)NC(C2CC2)C(=O)N1CCc1ccc(Br)s1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione?
The InChIKey is RNMJMCSUSQGSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-8-13(18)16-12(9-2-3-9)14(19)17(8)7-6-10-4-5-11(15)20-10/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione?
1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione has a molecular weight of 357.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 106046041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).