4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid

C11H12ClNO3S — CID 123401264

IUPAC4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid
SMILESO=C(c1sccc1Cl)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H12ClNO3S/c12-8-3-6-17-10(8)9(14)7-1-4-13(5-2-7)11(15)16/h3,6-7H,1-2,4-5H2,(H,15,16)
InChIKeyUERJSTZMDOXMFP-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.97
Rot. Bonds2

About 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid

4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid (PubChem CID 123401264) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid
PubChem CID123401264
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid
SMILESO=C(c1sccc1Cl)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H12ClNO3S/c12-8-3-6-17-10(8)9(14)7-1-4-13(5-2-7)11(15)16/h3,6-7H,1-2,4-5H2,(H,15,16)
InChIKeyUERJSTZMDOXMFP-UHFFFAOYSA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid (CID 123401264) is 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid is O=C(c1sccc1Cl)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid?
The InChIKey is UERJSTZMDOXMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c12-8-3-6-17-10(8)9(14)7-1-4-13(5-2-7)11(15)16/h3,6-7H,1-2,4-5H2,(H,15,16).
What are the key properties of 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid?
4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid has a molecular weight of 273.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 123401264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).