3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid

C11H15NO2S — CID 63132024

IUPAC3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2cccs2)CCCNC1
InChIInChI=1S/C11H15NO2S/c13-10(14)11(4-2-5-12-8-11)7-9-3-1-6-15-9/h1,3,6,12H,2,4-5,7-8H2,(H,13,14)
InChIKeyCMZZDFSPFWMFEO-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.75
Rot. Bonds3

About 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid

3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 63132024) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID63132024
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2cccs2)CCCNC1
InChIInChI=1S/C11H15NO2S/c13-10(14)11(4-2-5-12-8-11)7-9-3-1-6-15-9/h1,3,6,12H,2,4-5,7-8H2,(H,13,14)
InChIKeyCMZZDFSPFWMFEO-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 130600056
3-fluoro-3-(thiophen-2-ylmethyl)piperidine
CID 83819153
4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
CID 63774592
1,1-dioxo-3-(thiophen-2-ylmethyl)thiolane-3-carboxylic acid
CID 78991895
thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate
CID 63137943
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
3-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132717
1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 95851404
3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 79425404
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid (CID 63132024) is 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1(Cc2cccs2)CCCNC1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is CMZZDFSPFWMFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-10(14)11(4-2-5-12-8-11)7-9-3-1-6-15-9/h1,3,6,12H,2,4-5,7-8H2,(H,13,14).
What are the key properties of 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid?
3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63132024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).