4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

C23H26N4O2S — CID 24818967

IUPAC4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1nccs1
InChIInChI=1S/C23H26N4O2S/c1-17(23-25-12-15-30-23)26-22(28)18-5-7-20(8-6-18)29-21-9-13-27(14-10-21)16-19-4-2-3-11-24-19/h2-8,11-12,15,17,21H,9-10,13-14,16H2,1H3,(H,26,28)
InChIKeyAUWMHGNPIZYTJT-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.07
Rot. Bonds7

About 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 24818967) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID24818967
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1nccs1
InChIInChI=1S/C23H26N4O2S/c1-17(23-25-12-15-30-23)26-22(28)18-5-7-20(8-6-18)29-21-9-13-27(14-10-21)16-19-4-2-3-11-24-19/h2-8,11-12,15,17,21H,9-10,13-14,16H2,1H3,(H,26,28)
InChIKeyAUWMHGNPIZYTJT-UHFFFAOYSA-N
XLogP4.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 24818967) is 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1nccs1.
What is the InChIKey of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is AUWMHGNPIZYTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17(23-25-12-15-30-23)26-22(28)18-5-7-20(8-6-18)29-21-9-13-27(14-10-21)16-19-4-2-3-11-24-19/h2-8,11-12,15,17,21H,9-10,13-14,16H2,1H3,(H,26,28).
What are the key properties of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 24818967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).