4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid

C14H22N2O2S — CID 113487067

IUPAC4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)c2cncs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-4-14(13(17)18)5-7-16(8-6-14)11(2)12-9-15-10-19-12/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyPBHHXFXHXVNSKH-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.17
Rot. Bonds5

About 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid

4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 113487067) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID113487067
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)c2cncs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-4-14(13(17)18)5-7-16(8-6-14)11(2)12-9-15-10-19-12/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyPBHHXFXHXVNSKH-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid (CID 113487067) is 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)c2cncs2)CC1.
What is the InChIKey of 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is PBHHXFXHXVNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-4-14(13(17)18)5-7-16(8-6-14)11(2)12-9-15-10-19-12/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid?
4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113487067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).