2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid

C14H20N2O3S — CID 62317957

IUPAC2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCc1ccc(C(=O)N2CCN(C(C)C(=O)O)CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-3-11-4-5-12(20-11)13(17)16-8-6-15(7-9-16)10(2)14(18)19/h4-5,10H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyAKCXHGZYFCAKSA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.54
Rot. Bonds4

About 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62317957) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62317957
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCc1ccc(C(=O)N2CCN(C(C)C(=O)O)CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-3-11-4-5-12(20-11)13(17)16-8-6-15(7-9-16)10(2)14(18)19/h4-5,10H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyAKCXHGZYFCAKSA-UHFFFAOYSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416286
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
(5-bromothiophen-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778193
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 80665316
2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62315838
(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione
CID 66085509
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160923

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid (CID 62317957) is 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid is CCc1ccc(C(=O)N2CCN(C(C)C(=O)O)CC2)s1.
What is the InChIKey of 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is AKCXHGZYFCAKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-11-4-5-12(20-11)13(17)16-8-6-15(7-9-16)10(2)14(18)19/h4-5,10H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 296.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).