(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H18N2O4S — CID 61143597

IUPAC(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N1CCCC(C(=O)N2CSC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H18N2O4S/c1-8(15)13-4-2-3-9(5-13)11(16)14-7-19-6-10(14)12(17)18/h9-10H,2-7H2,1H3,(H,17,18)/t9?,10-/m0/s1
InChIKeyCAJGTGGJVLEUCY-AXDSSHIGSA-N
MW286.35 g/mol
LogP0.23
Rot. Bonds2

About (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143597) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143597
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N1CCCC(C(=O)N2CSC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H18N2O4S/c1-8(15)13-4-2-3-9(5-13)11(16)14-7-19-6-10(14)12(17)18/h9-10H,2-7H2,1H3,(H,17,18)/t9?,10-/m0/s1
InChIKeyCAJGTGGJVLEUCY-AXDSSHIGSA-N
XLogP0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359555
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(4R)-3-[3-(methylcarbamoyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 103197228
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
1-acetylpiperidine-3-carboxylic acid
CID 14043896
3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187460
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61143597) is (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC(=O)N1CCCC(C(=O)N2CSC[C@H]2C(=O)O)C1.
What is the InChIKey of (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CAJGTGGJVLEUCY-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(15)13-4-2-3-9(5-13)11(16)14-7-19-6-10(14)12(17)18/h9-10H,2-7H2,1H3,(H,17,18)/t9?,10-/m0/s1.
What are the key properties of (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).