5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid

C13H17NO3S — CID 21062090

IUPAC5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H17NO3S/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(18-10)13(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyXRLGPXHULXYKBJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.85
Rot. Bonds3

About 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid

5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 21062090) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID21062090
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H17NO3S/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(18-10)13(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyXRLGPXHULXYKBJ-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid (CID 21062090) is 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid is CCC1CCCCN1C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is XRLGPXHULXYKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-9-5-3-4-8-14(9)12(15)10-6-7-11(18-10)13(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid?
5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 21062090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).