2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid

C13H17NO3S — CID 54899654

IUPAC2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C13H17NO3S/c15-12(7-10-4-6-18-9-10)14-5-2-1-3-11(14)8-13(16)17/h4,6,9,11H,1-3,5,7-8H2,(H,16,17)
InChIKeyWDSGIZCWLZFRIQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.15
Rot. Bonds4

About 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid

2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid (PubChem CID 54899654) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid
PubChem CID54899654
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C13H17NO3S/c15-12(7-10-4-6-18-9-10)14-5-2-1-3-11(14)8-13(16)17/h4,6,9,11H,1-3,5,7-8H2,(H,16,17)
InChIKeyWDSGIZCWLZFRIQ-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid (CID 54899654) is 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Cc1ccsc1.
What is the InChIKey of 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid?
The InChIKey is WDSGIZCWLZFRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(7-10-4-6-18-9-10)14-5-2-1-3-11(14)8-13(16)17/h4,6,9,11H,1-3,5,7-8H2,(H,16,17).
What are the key properties of 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid?
2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-3-ylacetyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).