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

C15H24N2O4S — CID 119167612

IUPAC1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H24N2O4S/c1-2-3-6-13(18)17-10-22-9-12(17)14(19)16-7-4-5-11(8-16)15(20)21/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyYAAIKYUJVVYJPN-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.40
Rot. Bonds5

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

1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119167612) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID119167612
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H24N2O4S/c1-2-3-6-13(18)17-10-22-9-12(17)14(19)16-7-4-5-11(8-16)15(20)21/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyYAAIKYUJVVYJPN-UHFFFAOYSA-N
XLogP1.40
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 119166620
1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
CID 119579628
1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 42744753
1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354306
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
CID 119647278
4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229835
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187460
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
1-(2-butoxyacetyl)piperidine-3-carboxylic acid
CID 119167446
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938

Frequently Asked Questions

What is the IUPAC name of 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid (CID 119167612) is 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid is CCCCC(=O)N1CSCC1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is YAAIKYUJVVYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-2-3-6-13(18)17-10-22-9-12(17)14(19)16-7-4-5-11(8-16)15(20)21/h11-12H,2-10H2,1H3,(H,20,21).
What are the key properties of 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid?
1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 328.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119167612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).