3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid

C11H16N2O2S — CID 63641091

IUPAC3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESNC1CCN(Cc2ccsc2C(=O)O)CC1
InChIInChI=1S/C11H16N2O2S/c12-9-1-4-13(5-2-9)7-8-3-6-16-10(8)11(14)15/h3,6,9H,1-2,4-5,7,12H2,(H,14,15)
InChIKeyGXPVZUVJMSODHV-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.37
Rot. Bonds3

About 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid

3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63641091) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63641091
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESNC1CCN(Cc2ccsc2C(=O)O)CC1
InChIInChI=1S/C11H16N2O2S/c12-9-1-4-13(5-2-9)7-8-3-6-16-10(8)11(14)15/h3,6,9H,1-2,4-5,7,12H2,(H,14,15)
InChIKeyGXPVZUVJMSODHV-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63973293
3-[(4-tert-butylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639899
3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 138004005
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carboxylic acid
CID 115560430
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63640940
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 98566283
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)thiophene-2-carboxylic acid
CID 79935757
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
CID 14910436
3-[(2-methylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639879
3-[(3,3,4-trimethylpiperazin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639065

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid (CID 63641091) is 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid is NC1CCN(Cc2ccsc2C(=O)O)CC1.
What is the InChIKey of 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is GXPVZUVJMSODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-9-1-4-13(5-2-9)7-8-3-6-16-10(8)11(14)15/h3,6,9H,1-2,4-5,7,12H2,(H,14,15).
What are the key properties of 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid?
3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63641091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).