1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid

C14H22N2O4S — CID 119166620

IUPAC1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCCC(=O)N1CSCC1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O4S/c1-2-3-12(17)16-9-21-8-11(16)13(18)15-6-4-10(5-7-15)14(19)20/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyOQAJUYLGXIVJFT-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.01
Rot. Bonds4

About 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid

1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119166620) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID119166620
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCCC(=O)N1CSCC1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O4S/c1-2-3-12(17)16-9-21-8-11(16)13(18)15-6-4-10(5-7-15)14(19)20/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyOQAJUYLGXIVJFT-UHFFFAOYSA-N
XLogP1.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid (CID 119166620) is 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid is CCCC(=O)N1CSCC1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is OQAJUYLGXIVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-2-3-12(17)16-9-21-8-11(16)13(18)15-6-4-10(5-7-15)14(19)20/h10-11H,2-9H2,1H3,(H,19,20).
What are the key properties of 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid?
1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119166620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).