(4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone

C10H11BrClNOS — CID 102827007

IUPAC(4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone
SMILESO=C(c1cc(Br)c(Cl)s1)C1CCCCN1
InChIInChI=1S/C10H11BrClNOS/c11-6-5-8(15-10(6)12)9(14)7-3-1-2-4-13-7/h5,7,13H,1-4H2
InChIKeyLUNNLWSKOBIOBW-UHFFFAOYSA-N
MW308.63 g/mol
LogP3.49
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone

(4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone (PubChem CID 102827007) has the molecular formula C10H11BrClNOS and a molecular weight of 308.63 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone
PubChem CID102827007
Molecular FormulaC10H11BrClNOS
Molecular Weight308.63 g/mol
Exact Mass306.94
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone
SMILESO=C(c1cc(Br)c(Cl)s1)C1CCCCN1
InChIInChI=1S/C10H11BrClNOS/c11-6-5-8(15-10(6)12)9(14)7-3-1-2-4-13-7/h5,7,13H,1-4H2
InChIKeyLUNNLWSKOBIOBW-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl-(5-chlorothiophen-2-yl)methanone
CID 116582505
(4-bromo-5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176750
(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
CID 81473912
azepan-2-yl(thiophen-2-yl)methanone
CID 116582716
azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102830007
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-piperidin-2-ylmethanone
CID 64865742
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
CID 28993479
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone (CID 102827007) is (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone is O=C(c1cc(Br)c(Cl)s1)C1CCCCN1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone?
The InChIKey is LUNNLWSKOBIOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNOS/c11-6-5-8(15-10(6)12)9(14)7-3-1-2-4-13-7/h5,7,13H,1-4H2.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone?
(4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone has a molecular weight of 308.63 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 102827007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).