(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone

C11H12BrNOS — CID 131160226

IUPAC(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H12BrNOS/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(12)15-9/h2-3H,1,4-7H2
InChIKeyCLUWMFRXTJDUSO-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.30
Rot. Bonds1

About (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone

(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone (PubChem CID 131160226) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
PubChem CID131160226
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H12BrNOS/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(12)15-9/h2-3H,1,4-7H2
InChIKeyCLUWMFRXTJDUSO-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 60629640
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624
(5-bromothiophen-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778193
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 106839488
1-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60776287
(5-bromothiophen-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 26887367
(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279010
1-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110805994
2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-methylpropanethioamide
CID 63343775
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone (CID 131160226) is (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone is C=C1CCN(C(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
The InChIKey is CLUWMFRXTJDUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(12)15-9/h2-3H,1,4-7H2.
What are the key properties of (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone?
(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone has a molecular weight of 286.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone is sourced from PubChem (CID 131160226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).