4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid

C16H15N3O4S — CID 119181949

IUPAC4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)ccn1
InChIInChI=1S/C16H15N3O4S/c20-14(11-1-3-17-13(9-11)16(22)23)18-4-6-19(7-5-18)15(21)12-2-8-24-10-12/h1-3,8-10H,4-7H2,(H,22,23)
InChIKeyLUNDVXNCTRCPFI-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.44
Rot. Bonds3

About 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid

4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119181949) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119181949
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)ccn1
InChIInChI=1S/C16H15N3O4S/c20-14(11-1-3-17-13(9-11)16(22)23)18-4-6-19(7-5-18)15(21)12-2-8-24-10-12/h1-3,8-10H,4-7H2,(H,22,23)
InChIKeyLUNDVXNCTRCPFI-UHFFFAOYSA-N
XLogP1.44
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119181875
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 114412276
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 62787900
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 119181220
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)pyridine-2-carboxylic acid
CID 107457873
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740

Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid (CID 119181949) is 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1cc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)ccn1.
What is the InChIKey of 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is LUNDVXNCTRCPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c20-14(11-1-3-17-13(9-11)16(22)23)18-4-6-19(7-5-18)15(21)12-2-8-24-10-12/h1-3,8-10H,4-7H2,(H,22,23).
What are the key properties of 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid?
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 345.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119181949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).