5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

C12H14N2O4S — CID 22677762

IUPAC5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C12H14N2O4S/c1-8(15)13-4-6-14(7-5-13)11(16)9-2-3-10(19-9)12(17)18/h2-3H,4-7H2,1H3,(H,17,18)
InChIKeyNSPGPQYPXIQHDR-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.75
Rot. Bonds2

About 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 22677762) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID22677762
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C12H14N2O4S/c1-8(15)13-4-6-14(7-5-13)11(16)9-2-3-10(19-9)12(17)18/h2-3H,4-7H2,1H3,(H,17,18)
InChIKeyNSPGPQYPXIQHDR-UHFFFAOYSA-N
XLogP0.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (CID 22677762) is 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is CC(=O)N1CCN(C(=O)c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is NSPGPQYPXIQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8(15)13-4-6-14(7-5-13)11(16)9-2-3-10(19-9)12(17)18/h2-3H,4-7H2,1H3,(H,17,18).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 22677762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).