5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid

C14H16N2O2S — CID 174950438

IUPAC5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(n3cccc3)CC2)s1
InChIInChI=1S/C14H16N2O2S/c17-14(18)12-3-4-13(19-12)16-9-5-11(6-10-16)15-7-1-2-8-15/h1-4,7-8,11H,5-6,9-10H2,(H,17,18)
InChIKeyQMVMBPUFZFNECA-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.09
Rot. Bonds3

About 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid

5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid (PubChem CID 174950438) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid
PubChem CID174950438
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(n3cccc3)CC2)s1
InChIInChI=1S/C14H16N2O2S/c17-14(18)12-3-4-13(19-12)16-9-5-11(6-10-16)15-7-1-2-8-15/h1-4,7-8,11H,5-6,9-10H2,(H,17,18)
InChIKeyQMVMBPUFZFNECA-UHFFFAOYSA-N
XLogP3.09
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid (CID 174950438) is 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(N2CCC(n3cccc3)CC2)s1.
What is the InChIKey of 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid?
The InChIKey is QMVMBPUFZFNECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-14(18)12-3-4-13(19-12)16-9-5-11(6-10-16)15-7-1-2-8-15/h1-4,7-8,11H,5-6,9-10H2,(H,17,18).
What are the key properties of 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid?
5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 174950438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).