5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

C18H24N2O3S — CID 46880448

IUPAC5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCCCN3CCCCC3)cc2)S1
InChIInChI=1S/C18H24N2O3S/c21-17-16(24-18(22)19-17)13-14-5-7-15(8-6-14)23-12-4-11-20-9-2-1-3-10-20/h5-8,16H,1-4,9-13H2,(H,19,21,22)
InChIKeySEJKSBJJZVCKLO-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.84
Rot. Bonds7

About 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46880448) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46880448
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCCCN3CCCCC3)cc2)S1
InChIInChI=1S/C18H24N2O3S/c21-17-16(24-18(22)19-17)13-14-5-7-15(8-6-14)23-12-4-11-20-9-2-1-3-10-20/h5-8,16H,1-4,9-13H2,(H,19,21,22)
InChIKeySEJKSBJJZVCKLO-UHFFFAOYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 46880448) is 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCCCN3CCCCC3)cc2)S1.
What is the InChIKey of 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is SEJKSBJJZVCKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-17-16(24-18(22)19-17)13-14-5-7-15(8-6-14)23-12-4-11-20-9-2-1-3-10-20/h5-8,16H,1-4,9-13H2,(H,19,21,22).
What are the key properties of 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 348.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46880448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).