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

C14H20N2O4S — CID 43354209

IUPAC1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid
SMILESCc1csc(=O)n1CCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O4S/c1-10-9-21-14(20)16(10)6-2-3-12(17)15-7-4-11(5-8-15)13(18)19/h9,11H,2-8H2,1H3,(H,18,19)
InChIKeyGGABMLWWPMKTJJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.32
Rot. Bonds5

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

1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid (PubChem CID 43354209) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid
PubChem CID43354209
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid
SMILESCc1csc(=O)n1CCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O4S/c1-10-9-21-14(20)16(10)6-2-3-12(17)15-7-4-11(5-8-15)13(18)19/h9,11H,2-8H2,1H3,(H,18,19)
InChIKeyGGABMLWWPMKTJJ-UHFFFAOYSA-N
XLogP1.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid (CID 43354209) is 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid is Cc1csc(=O)n1CCCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is GGABMLWWPMKTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-21-14(20)16(10)6-2-3-12(17)15-7-4-11(5-8-15)13(18)19/h9,11H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid?
1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43354209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).