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

C13H22N2O3S — CID 63132013

IUPAC(4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1(C(=O)N2CSC[C@H]2C(=O)O)CCCNC1
InChIInChI=1S/C13H22N2O3S/c1-2-4-13(5-3-6-14-8-13)12(18)15-9-19-7-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyVWWSTHUTVAEOSU-NKUHCKNESA-N
MW286.40 g/mol
LogP1.14
Rot. Bonds4

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

(4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63132013) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63132013
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name(4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1(C(=O)N2CSC[C@H]2C(=O)O)CCCNC1
InChIInChI=1S/C13H22N2O3S/c1-2-4-13(5-3-6-14-8-13)12(18)15-9-19-7-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyVWWSTHUTVAEOSU-NKUHCKNESA-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

4-(3-propylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904432
2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790950
2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444964
3-(3-propan-2-ylpyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 106980256
3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071822
1-(3-propylpiperidine-3-carbonyl)piperidine-2-carboxamide
CID 63131177
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
4-(3-ethylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904914
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
4-(3-propylpiperidine-3-carbonyl)morpholine-3-carboxamide
CID 83102514
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone
CID 63135439

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63132013) is (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCCC1(C(=O)N2CSC[C@H]2C(=O)O)CCCNC1.
What is the InChIKey of (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VWWSTHUTVAEOSU-NKUHCKNESA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-4-13(5-3-6-14-8-13)12(18)15-9-19-7-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-propylpiperidine-3-carbonyl)-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 (4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63132013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).