1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid

C13H19NO2S — CID 3601936

IUPAC1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
SMILESCCC(c1cccs1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H19NO2S/c1-2-11(12-6-4-8-17-12)14-7-3-5-10(9-14)13(15)16/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)
InChIKeyNWXWDYNCYBCRLD-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.00
Rot. Bonds4

About 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid

1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid (PubChem CID 3601936) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
PubChem CID3601936
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
SMILESCCC(c1cccs1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H19NO2S/c1-2-11(12-6-4-8-17-12)14-7-3-5-10(9-14)13(15)16/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)
InChIKeyNWXWDYNCYBCRLD-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid (CID 3601936) is 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid is CCC(c1cccs1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid?
The InChIKey is NWXWDYNCYBCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-11(12-6-4-8-17-12)14-7-3-5-10(9-14)13(15)16/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16).
What are the key properties of 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid?
1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 3601936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).