1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione

C11H12BrNO2S — CID 82124728

IUPAC1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNO2S/c12-9-5-4-8(16-9)10(14)11(15)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2
InChIKeyZCUFFHYZCGTAKN-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.71
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione

1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 82124728) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID82124728
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNO2S/c12-9-5-4-8(16-9)10(14)11(15)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2
InChIKeyZCUFFHYZCGTAKN-UHFFFAOYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041584
2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279010
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide
CID 82121850
1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione
CID 101445164
(Z)-1-(azepan-1-yl)-3-(5-bromothiophen-2-yl)prop-2-en-1-one
CID 97305758
(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 131160226
1-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110805994
(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 60629640

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione (CID 82124728) is 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is ZCUFFHYZCGTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S/c12-9-5-4-8(16-9)10(14)11(15)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione?
1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 302.19 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 82124728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).