1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate

C13H19NO2S — CID 2911522

IUPAC1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate
SMILESCC(CN1CCCCC1)OC(=O)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-11(10-14-7-3-2-4-8-14)16-13(15)12-6-5-9-17-12/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyOLWZNFTUURODJQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.78
Rot. Bonds4

About 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate

1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate (PubChem CID 2911522) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate
PubChem CID2911522
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate
SMILESCC(CN1CCCCC1)OC(=O)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-11(10-14-7-3-2-4-8-14)16-13(15)12-6-5-9-17-12/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyOLWZNFTUURODJQ-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate (CID 2911522) is 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate is CC(CN1CCCCC1)OC(=O)c1cccs1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate?
The InChIKey is OLWZNFTUURODJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11(10-14-7-3-2-4-8-14)16-13(15)12-6-5-9-17-12/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate?
1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl thiophene-2-carboxylate is sourced from PubChem (CID 2911522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).