3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H17N3O4S — CID 43359555

IUPAC3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)N2CSCC2C(=O)O)C1
InChIInChI=1S/C11H17N3O4S/c12-11(18)13-3-1-2-7(4-13)9(15)14-6-19-5-8(14)10(16)17/h7-8H,1-6H2,(H2,12,18)(H,16,17)
InChIKeyUMJFPEGEGCEFND-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.24
Rot. Bonds2

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

3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359555) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359555
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)N2CSCC2C(=O)O)C1
InChIInChI=1S/C11H17N3O4S/c12-11(18)13-3-1-2-7(4-13)9(15)14-6-19-5-8(14)10(16)17/h7-8H,1-6H2,(H2,12,18)(H,16,17)
InChIKeyUMJFPEGEGCEFND-UHFFFAOYSA-N
XLogP-0.24
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
(4R)-3-[3-(methylcarbamoyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 103197228
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327
3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187460
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62758263
3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410
2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010810
(4R)-3-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143191

Frequently Asked Questions

What is the IUPAC name of 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359555) is 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is NC(=O)N1CCCC(C(=O)N2CSCC2C(=O)O)C1.
What is the InChIKey of 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UMJFPEGEGCEFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c12-11(18)13-3-1-2-7(4-13)9(15)14-6-19-5-8(14)10(16)17/h7-8H,1-6H2,(H2,12,18)(H,16,17).
What are the key properties of 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).