5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

C13H18N2O3S — CID 63614567

IUPAC5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCCN1CCN(C(=O)c2ccc(C(=O)O)s2)CC1C
InChIInChI=1S/C13H18N2O3S/c1-3-14-6-7-15(8-9(14)2)12(16)10-4-5-11(19-10)13(17)18/h4-5,9H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyGPPVLKDNBAAOIF-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.61
Rot. Bonds3

About 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 63614567) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID63614567
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCCN1CCN(C(=O)c2ccc(C(=O)O)s2)CC1C
InChIInChI=1S/C13H18N2O3S/c1-3-14-6-7-15(8-9(14)2)12(16)10-4-5-11(19-10)13(17)18/h4-5,9H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyGPPVLKDNBAAOIF-UHFFFAOYSA-N
XLogP1.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (CID 63614567) is 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is CCN1CCN(C(=O)c2ccc(C(=O)O)s2)CC1C.
What is the InChIKey of 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is GPPVLKDNBAAOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-14-6-7-15(8-9(14)2)12(16)10-4-5-11(19-10)13(17)18/h4-5,9H,3,6-8H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63614567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).