5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid

C17H23N3O4S — CID 22677765

IUPAC5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)s1
InChIInChI=1S/C17H23N3O4S/c21-15(19-6-2-1-3-7-19)12-18-8-10-20(11-9-18)16(22)13-4-5-14(25-13)17(23)24/h4-5H,1-3,6-12H2,(H,23,24)
InChIKeyLTBSJJWVXWQGRL-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.22
Rot. Bonds4

About 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid

5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid (PubChem CID 22677765) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
PubChem CID22677765
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)s1
InChIInChI=1S/C17H23N3O4S/c21-15(19-6-2-1-3-7-19)12-18-8-10-20(11-9-18)16(22)13-4-5-14(25-13)17(23)24/h4-5H,1-3,6-12H2,(H,23,24)
InChIKeyLTBSJJWVXWQGRL-UHFFFAOYSA-N
XLogP1.22
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid (CID 22677765) is 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)s1.
What is the InChIKey of 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is LTBSJJWVXWQGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-15(19-6-2-1-3-7-19)12-18-8-10-20(11-9-18)16(22)13-4-5-14(25-13)17(23)24/h4-5H,1-3,6-12H2,(H,23,24).
What are the key properties of 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid?
5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 365.46 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 22677765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).