5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one

C19H17ClN2O2S — CID 138610644

IUPAC5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one
SMILESCc1cc(Cl)cc(-c2ccnc3ccsc23)c1OC1CCC(=O)NC1
InChIInChI=1S/C19H17ClN2O2S/c1-11-8-12(20)9-15(14-4-6-21-16-5-7-25-19(14)16)18(11)24-13-2-3-17(23)22-10-13/h4-9,13H,2-3,10H2,1H3,(H,22,23)
InChIKeyYRPGFXHAVFTAKK-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.58
Rot. Bonds3

About 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one

5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one (PubChem CID 138610644) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one.

Molecular Properties

Compound Name5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one
PubChem CID138610644
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one
SMILESCc1cc(Cl)cc(-c2ccnc3ccsc23)c1OC1CCC(=O)NC1
InChIInChI=1S/C19H17ClN2O2S/c1-11-8-12(20)9-15(14-4-6-21-16-5-7-25-19(14)16)18(11)24-13-2-3-17(23)22-10-13/h4-9,13H,2-3,10H2,1H3,(H,22,23)
InChIKeyYRPGFXHAVFTAKK-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one?
The IUPAC name of 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one (CID 138610644) is 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one.
What is the SMILES notation for 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one?
The canonical SMILES for 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one is Cc1cc(Cl)cc(-c2ccnc3ccsc23)c1OC1CCC(=O)NC1.
What is the InChIKey of 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one?
The InChIKey is YRPGFXHAVFTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-11-8-12(20)9-15(14-4-6-21-16-5-7-25-19(14)16)18(11)24-13-2-3-17(23)22-10-13/h4-9,13H,2-3,10H2,1H3,(H,22,23).
What are the key properties of 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one?
5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one has a molecular weight of 372.88 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one is sourced from PubChem (CID 138610644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).