1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone

C12H15Br2NOS — CID 43228144

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C12H15Br2NOS/c1-8-2-4-15(5-3-8)7-10(16)9-6-11(13)17-12(9)14/h6,8H,2-5,7H2,1H3
InChIKeyRTCIIGJGPGRZLQ-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.19
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 43228144) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID43228144
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C12H15Br2NOS/c1-8-2-4-15(5-3-8)7-10(16)9-6-11(13)17-12(9)14/h6,8H,2-5,7H2,1H3
InChIKeyRTCIIGJGPGRZLQ-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 43228144) is 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)c2cc(Br)sc2Br)CC1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is RTCIIGJGPGRZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c1-8-2-4-15(5-3-8)7-10(16)9-6-11(13)17-12(9)14/h6,8H,2-5,7H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 381.13 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43228144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).