2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one

C12H16ClNOS — CID 71924295

IUPAC2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-9(10-5-6-11(13)16-10)12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyMUMWPUQNORARNO-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.52
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one

2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 71924295) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID71924295
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-9(10-5-6-11(13)16-10)12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyMUMWPUQNORARNO-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one (CID 71924295) is 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is MUMWPUQNORARNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-9(10-5-6-11(13)16-10)12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one?
2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 257.79 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 71924295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).