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

C12H18N2O3S — CID 114284637

IUPAC4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(C)c2cncs2)CC1
InChIInChI=1S/C12H18N2O3S/c1-9(10-7-13-8-18-10)14-5-3-12(17-2,4-6-14)11(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyIYHBVICUVQLMND-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.77
Rot. Bonds4

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

4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 114284637) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID114284637
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(C)c2cncs2)CC1
InChIInChI=1S/C12H18N2O3S/c1-9(10-7-13-8-18-10)14-5-3-12(17-2,4-6-14)11(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyIYHBVICUVQLMND-UHFFFAOYSA-N
XLogP1.77
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid (CID 114284637) is 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid is COC1(C(=O)O)CCN(C(C)c2cncs2)CC1.
What is the InChIKey of 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is IYHBVICUVQLMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(10-7-13-8-18-10)14-5-3-12(17-2,4-6-14)11(15)16/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid?
4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 114284637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).