3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid

C14H21NO2S — CID 82134042

IUPAC3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid
SMILESCCC1CCCCN1C(CC(=O)O)c1cccs1
InChIInChI=1S/C14H21NO2S/c1-2-11-6-3-4-8-15(11)12(10-14(16)17)13-7-5-9-18-13/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,16,17)
InChIKeyJWHDGVMXTIBPRQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.53
Rot. Bonds5

About 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid

3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid (PubChem CID 82134042) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid
PubChem CID82134042
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid
SMILESCCC1CCCCN1C(CC(=O)O)c1cccs1
InChIInChI=1S/C14H21NO2S/c1-2-11-6-3-4-8-15(11)12(10-14(16)17)13-7-5-9-18-13/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,16,17)
InChIKeyJWHDGVMXTIBPRQ-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 55147079
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid
CID 4038004
[1-(1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
CID 115311578
2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
CID 79606686
4-pyrrolidin-1-yl-4-thiophen-2-ylbutan-2-one;hydrochloride
CID 67780498
2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 82201737
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 112985429

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid (CID 82134042) is 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid is CCC1CCCCN1C(CC(=O)O)c1cccs1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid?
The InChIKey is JWHDGVMXTIBPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-11-6-3-4-8-15(11)12(10-14(16)17)13-7-5-9-18-13/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,16,17).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid?
3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid has a molecular weight of 267.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 82134042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).