2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

C18H26N2O3S — CID 46880387

IUPAC2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(OCCCN3CCCCC3)cc2)N1
InChIInChI=1S/C18H26N2O3S/c21-18(22)16-13-24-17(19-16)14-5-7-15(8-6-14)23-12-4-11-20-9-2-1-3-10-20/h5-8,16-17,19H,1-4,9-13H2,(H,21,22)
InChIKeyMZTQHKMNBOOZNY-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.73
Rot. Bonds7

About 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 46880387) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID46880387
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(OCCCN3CCCCC3)cc2)N1
InChIInChI=1S/C18H26N2O3S/c21-18(22)16-13-24-17(19-16)14-5-7-15(8-6-14)23-12-4-11-20-9-2-1-3-10-20/h5-8,16-17,19H,1-4,9-13H2,(H,21,22)
InChIKeyMZTQHKMNBOOZNY-UHFFFAOYSA-N
XLogP2.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 46880387) is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(OCCCN3CCCCC3)cc2)N1.
What is the InChIKey of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MZTQHKMNBOOZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18(22)16-13-24-17(19-16)14-5-7-15(8-6-14)23-12-4-11-20-9-2-1-3-10-20/h5-8,16-17,19H,1-4,9-13H2,(H,21,22).
What are the key properties of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 350.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 46880387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).