4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid

C11H16N2O2S — CID 68801205

IUPAC4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C11H16N2O2S/c14-11(15)13-4-1-10(2-5-13)12-7-9-3-6-16-8-9/h3,6,8,10,12H,1-2,4-5,7H2,(H,14,15)
InChIKeyVWMOKCCQMNEZFF-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.98
Rot. Bonds3

About 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid

4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid (PubChem CID 68801205) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid
PubChem CID68801205
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C11H16N2O2S/c14-11(15)13-4-1-10(2-5-13)12-7-9-3-6-16-8-9/h3,6,8,10,12H,1-2,4-5,7H2,(H,14,15)
InChIKeyVWMOKCCQMNEZFF-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid (CID 68801205) is 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid is O=C(O)N1CCC(NCc2ccsc2)CC1.
What is the InChIKey of 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid?
The InChIKey is VWMOKCCQMNEZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-11(15)13-4-1-10(2-5-13)12-7-9-3-6-16-8-9/h3,6,8,10,12H,1-2,4-5,7H2,(H,14,15).
What are the key properties of 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid?
4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-3-ylmethylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 68801205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).