3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid

C21H22N2O3S — CID 139651716

IUPAC3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C21H22N2O3S/c24-21(25)19-18(17-5-4-10-22-20(17)27-19)15-6-8-16(9-7-15)26-14-13-23-11-2-1-3-12-23/h4-10H,1-3,11-14H2,(H,24,25)
InChIKeyJSUUHKLRAJYNOZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.53
Rot. Bonds6

About 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid

3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139651716) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139651716
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C21H22N2O3S/c24-21(25)19-18(17-5-4-10-22-20(17)27-19)15-6-8-16(9-7-15)26-14-13-23-11-2-1-3-12-23/h4-10H,1-3,11-14H2,(H,24,25)
InChIKeyJSUUHKLRAJYNOZ-UHFFFAOYSA-N
XLogP4.53
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651729
3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651753
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
bis[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone;oxalic acid
CID 157355885
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169405670
7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 21084005
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid (CID 139651716) is 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is JSUUHKLRAJYNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c24-21(25)19-18(17-5-4-10-22-20(17)27-19)15-6-8-16(9-7-15)26-14-13-23-11-2-1-3-12-23/h4-10H,1-3,11-14H2,(H,24,25).
What are the key properties of 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 382.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139651716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).