2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid

C13H22N2O4S — CID 63903192

IUPAC2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)CCOC1CCNCC1
InChIInChI=1S/C13H22N2O4S/c1-9-15(11(8-20-9)13(17)18)12(16)4-7-19-10-2-5-14-6-3-10/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyTXZVBSYKQABUNT-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.52
Rot. Bonds5

About 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63903192) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63903192
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)CCOC1CCNCC1
InChIInChI=1S/C13H22N2O4S/c1-9-15(11(8-20-9)13(17)18)12(16)4-7-19-10-2-5-14-6-3-10/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyTXZVBSYKQABUNT-UHFFFAOYSA-N
XLogP0.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792161
3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792861
2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235129
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
2-methyl-3-(4-phenoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792319
2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781288
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851
2-methyl-3-(2-morpholin-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66426625
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63793043
1-(4-methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63903192) is 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)CCOC1CCNCC1.
What is the InChIKey of 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is TXZVBSYKQABUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-9-15(11(8-20-9)13(17)18)12(16)4-7-19-10-2-5-14-6-3-10/h9-11,14H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63903192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).