(4-bromothiophen-3-yl)-piperidin-4-ylmethanone

C10H12BrNOS — CID 116547671

IUPAC(4-bromothiophen-3-yl)-piperidin-4-ylmethanone
SMILESO=C(c1cscc1Br)C1CCNCC1
InChIInChI=1S/C10H12BrNOS/c11-9-6-14-5-8(9)10(13)7-1-3-12-4-2-7/h5-7,12H,1-4H2
InChIKeyIUJHUTFJMITHNN-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.69
Rot. Bonds2

About (4-bromothiophen-3-yl)-piperidin-4-ylmethanone

(4-bromothiophen-3-yl)-piperidin-4-ylmethanone (PubChem CID 116547671) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-piperidin-4-ylmethanone
PubChem CID116547671
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(4-bromothiophen-3-yl)-piperidin-4-ylmethanone
SMILESO=C(c1cscc1Br)C1CCNCC1
InChIInChI=1S/C10H12BrNOS/c11-9-6-14-5-8(9)10(13)7-1-3-12-4-2-7/h5-7,12H,1-4H2
InChIKeyIUJHUTFJMITHNN-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-piperidin-4-ylmethanone?
The IUPAC name of (4-bromothiophen-3-yl)-piperidin-4-ylmethanone (CID 116547671) is (4-bromothiophen-3-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-bromothiophen-3-yl)-piperidin-4-ylmethanone is O=C(c1cscc1Br)C1CCNCC1.
What is the InChIKey of (4-bromothiophen-3-yl)-piperidin-4-ylmethanone?
The InChIKey is IUJHUTFJMITHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-9-6-14-5-8(9)10(13)7-1-3-12-4-2-7/h5-7,12H,1-4H2.
What are the key properties of (4-bromothiophen-3-yl)-piperidin-4-ylmethanone?
(4-bromothiophen-3-yl)-piperidin-4-ylmethanone has a molecular weight of 274.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 116547671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).