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

C14H22N2O2S — CID 43441528

IUPAC1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1nc(CN2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)13-15-11(9-19-13)8-16-6-4-10(5-7-16)12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyVDKSFWGPXYNAHD-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.74
Rot. Bonds3

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

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 43441528) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID43441528
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1nc(CN2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)13-15-11(9-19-13)8-16-6-4-10(5-7-16)12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyVDKSFWGPXYNAHD-UHFFFAOYSA-N
XLogP2.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid (CID 43441528) is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid is CC(C)(C)c1nc(CN2CCC(C(=O)O)CC2)cs1.
What is the InChIKey of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is VDKSFWGPXYNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)13-15-11(9-19-13)8-16-6-4-10(5-7-16)12(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).