3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid

C14H15NO3S — CID 71545385

IUPAC3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C14H15NO3S/c16-14(17)13-12(18-9-5-7-15-8-6-9)10-3-1-2-4-11(10)19-13/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyVVQFRZRJDMHSGJ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.73
Rot. Bonds3

About 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid

3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid (PubChem CID 71545385) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid
PubChem CID71545385
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C14H15NO3S/c16-14(17)13-12(18-9-5-7-15-8-6-9)10-3-1-2-4-11(10)19-13/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyVVQFRZRJDMHSGJ-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxybenzyl 3-(Piperidin-4-Yloxy)-1-Benzothiophene-2-Carboxylate
CID 70678410
3-Phenylpropyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
CID 71586086
2-(3-Methoxyphenyl)ethyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71586087
Phenethyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71586089
2-Phenoxyethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
CID 71586185
2-(3,5-Dimethoxyphenyl)ethyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71586380
(3-Methoxyphenyl)methyl 3-piperidin-4-yloxythiophene-2-carboxylate
CID 89614977
Ethyl 3-(piperidin-4-yloxy)benzo[b]thiophene-2-carboxylate
CID 71545383
Benzyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71545388
N-benzyl-3-(4-piperidyloxy)benzothiophene-2-carboxamide
CID 71545543
N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
CID 71586090
N-(2-phenylethyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
CID 90671365

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid (CID 71545385) is 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid is O=C(O)c1sc2ccccc2c1OC1CCNCC1.
What is the InChIKey of 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid?
The InChIKey is VVQFRZRJDMHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-14(17)13-12(18-9-5-7-15-8-6-9)10-3-1-2-4-11(10)19-13/h1-4,9,15H,5-8H2,(H,16,17).
What are the key properties of 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid?
3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 71545385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).