3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid

C12H15ClN2O3S — CID 43521993

IUPAC3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H15ClN2O3S/c13-10-2-1-9(19-10)12(18)15-7-5-14(6-8-15)4-3-11(16)17/h1-2H,3-8H2,(H,16,17)
InChIKeySUWNNPKUBIGWQG-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.63
Rot. Bonds4

About 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43521993) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43521993
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H15ClN2O3S/c13-10-2-1-9(19-10)12(18)15-7-5-14(6-8-15)4-3-11(16)17/h1-2H,3-8H2,(H,16,17)
InChIKeySUWNNPKUBIGWQG-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907369
(5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone
CID 97038821
(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560726
(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907395
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522672
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid (CID 43521993) is 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is SUWNNPKUBIGWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c13-10-2-1-9(19-10)12(18)15-7-5-14(6-8-15)4-3-11(16)17/h1-2H,3-8H2,(H,16,17).
What are the key properties of 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 302.78 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43521993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).