1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid

C12H16N2O4S — CID 43170467

IUPAC1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)6-10(15)13-4-2-9(3-5-13)11(16)17/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyPCQHBSBDFDLVDM-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.54
Rot. Bonds3

About 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43170467) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID43170467
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)6-10(15)13-4-2-9(3-5-13)11(16)17/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyPCQHBSBDFDLVDM-UHFFFAOYSA-N
XLogP0.54
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid (CID 43170467) is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid is Cc1csc(=O)n1CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is PCQHBSBDFDLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)6-10(15)13-4-2-9(3-5-13)11(16)17/h7,9H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43170467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).