3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid

C13H17NO4S — CID 63871086

IUPAC3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H17NO4S/c15-12(16)5-8-18-10-3-6-14(7-4-10)13(17)11-2-1-9-19-11/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyHIDHYOFAVAAEDK-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.84
Rot. Bonds5

About 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid

3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63871086) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63871086
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H17NO4S/c15-12(16)5-8-18-10-3-6-14(7-4-10)13(17)11-2-1-9-19-11/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyHIDHYOFAVAAEDK-UHFFFAOYSA-N
XLogP1.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid
CID 63877371
3-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871552
3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid
CID 65065534
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63877037
3-[1-(3-bromobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63871391
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid (CID 63871086) is 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is HIDHYOFAVAAEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12(16)5-8-18-10-3-6-14(7-4-10)13(17)11-2-1-9-19-11/h1-2,9-10H,3-8H2,(H,15,16).
What are the key properties of 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63871086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).