3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one

C13H24N2OS — CID 87830053

IUPAC3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SCC(=O)N1CCC1CCCCN1
InChIInChI=1S/C13H24N2OS/c1-2-5-13-15(12(16)10-17-13)9-7-11-6-3-4-8-14-11/h11,13-14H,2-10H2,1H3
InChIKeyJBCHMBKQKCDWFJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one

3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one (PubChem CID 87830053) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one
PubChem CID87830053
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SCC(=O)N1CCC1CCCCN1
InChIInChI=1S/C13H24N2OS/c1-2-5-13-15(12(16)10-17-13)9-7-11-6-3-4-8-14-11/h11,13-14H,2-10H2,1H3
InChIKeyJBCHMBKQKCDWFJ-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one (CID 87830053) is 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one is CCCC1SCC(=O)N1CCC1CCCCN1.
What is the InChIKey of 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one?
The InChIKey is JBCHMBKQKCDWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-5-13-15(12(16)10-17-13)9-7-11-6-3-4-8-14-11/h11,13-14H,2-10H2,1H3.
What are the key properties of 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one?
3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one has a molecular weight of 256.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 87830053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).