2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid

C13H17NO4S — CID 79802681

IUPAC2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESCc1cscc1C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H17NO4S/c1-9-7-19-8-11(9)13(17)14-4-2-10(3-5-14)18-6-12(15)16/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyKOMHVYBSXPUUIY-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.76
Rot. Bonds4

About 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid

2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 79802681) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID79802681
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESCc1cscc1C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H17NO4S/c1-9-7-19-8-11(9)13(17)14-4-2-10(3-5-14)18-6-12(15)16/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyKOMHVYBSXPUUIY-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657658
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503
2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 81127210
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220
2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66156931
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813539

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid (CID 79802681) is 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid is Cc1cscc1C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is KOMHVYBSXPUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-7-19-8-11(9)13(17)14-4-2-10(3-5-14)18-6-12(15)16/h7-8,10H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 79802681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).