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

C13H17NO5S — CID 81127210

IUPAC2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESCOc1csc(C(=O)N2CCC(OCC(=O)O)CC2)c1
InChIInChI=1S/C13H17NO5S/c1-18-10-6-11(20-8-10)13(17)14-4-2-9(3-5-14)19-7-12(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyNICPTCSRCJQZIE-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.46
Rot. Bonds5

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

2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 81127210) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID81127210
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESCOc1csc(C(=O)N2CCC(OCC(=O)O)CC2)c1
InChIInChI=1S/C13H17NO5S/c1-18-10-6-11(20-8-10)13(17)14-4-2-9(3-5-14)19-7-12(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyNICPTCSRCJQZIE-UHFFFAOYSA-N
XLogP1.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 103720299
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 79802681
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202
(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304268
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66156931
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid (CID 81127210) is 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid is COc1csc(C(=O)N2CCC(OCC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is NICPTCSRCJQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-18-10-6-11(20-8-10)13(17)14-4-2-9(3-5-14)19-7-12(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 299.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 81127210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).