3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H22N2O3S — CID 63792541

IUPAC3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1CCNCC1
InChIInChI=1S/C13H22N2O3S/c1-2-3-11-15(10(8-19-11)13(17)18)12(16)9-4-6-14-7-5-9/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyVYFAFHLPDFTYJV-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.14
Rot. Bonds4

About 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792541) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792541
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1CCNCC1
InChIInChI=1S/C13H22N2O3S/c1-2-3-11-15(10(8-19-11)13(17)18)12(16)9-4-6-14-7-5-9/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyVYFAFHLPDFTYJV-UHFFFAOYSA-N
XLogP1.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(pyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237451
2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235129
3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64568961
3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 114824462
3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64823092
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-[(3-methylcyclopentyl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107414469
2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781994

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63792541) is 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)C1CCNCC1.
What is the InChIKey of 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VYFAFHLPDFTYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-3-11-15(10(8-19-11)13(17)18)12(16)9-4-6-14-7-5-9/h9-11,14H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).