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

C23H26N4O2S — CID 24817790

IUPACN-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCN(Cc1nccs1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C23H26N4O2S/c1-26(17-22-25-12-15-30-22)23(28)18-5-7-20(8-6-18)29-21-9-13-27(14-10-21)16-19-4-2-3-11-24-19/h2-8,11-12,15,21H,9-10,13-14,16-17H2,1H3
InChIKeyIVKARNIRXRCUDQ-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.85
Rot. Bonds7

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

N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 24817790) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID24817790
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCN(Cc1nccs1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C23H26N4O2S/c1-26(17-22-25-12-15-30-22)23(28)18-5-7-20(8-6-18)29-21-9-13-27(14-10-21)16-19-4-2-3-11-24-19/h2-8,11-12,15,21H,9-10,13-14,16-17H2,1H3
InChIKeyIVKARNIRXRCUDQ-UHFFFAOYSA-N
XLogP3.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 24817790) is N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide is CN(Cc1nccs1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is IVKARNIRXRCUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-26(17-22-25-12-15-30-22)23(28)18-5-7-20(8-6-18)29-21-9-13-27(14-10-21)16-19-4-2-3-11-24-19/h2-8,11-12,15,21H,9-10,13-14,16-17H2,1H3.
What are the key properties of N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 24817790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).