4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

C12H17N3O3S — CID 63124077

IUPAC4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1
InChIInChI=1S/C12H17N3O3S/c1-12(10(16)17)2-5-15(6-3-12)11(18)14-8-9-13-4-7-19-9/h4,7H,2-3,5-6,8H2,1H3,(H,14,18)(H,16,17)
InChIKeySVFAPSDGRQZUCY-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.54
Rot. Bonds3

About 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63124077) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63124077
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1
InChIInChI=1S/C12H17N3O3S/c1-12(10(16)17)2-5-15(6-3-12)11(18)14-8-9-13-4-7-19-9/h4,7H,2-3,5-6,8H2,1H3,(H,14,18)(H,16,17)
InChIKeySVFAPSDGRQZUCY-UHFFFAOYSA-N
XLogP1.54
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 63124077) is 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1.
What is the InChIKey of 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is SVFAPSDGRQZUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-12(10(16)17)2-5-15(6-3-12)11(18)14-8-9-13-4-7-19-9/h4,7H,2-3,5-6,8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63124077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).