5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid

C17H22N2O4S — CID 72890331

IUPAC5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)s1
InChIInChI=1S/C17H22N2O4S/c20-15(18-10-13-4-5-14(24-13)17(22)23)11-6-8-19(9-7-11)16(21)12-2-1-3-12/h4-5,11-12H,1-3,6-10H2,(H,18,20)(H,22,23)
InChIKeyLFRWYBPGPQOFBS-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.10
Rot. Bonds5

About 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 72890331) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID72890331
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)s1
InChIInChI=1S/C17H22N2O4S/c20-15(18-10-13-4-5-14(24-13)17(22)23)11-6-8-19(9-7-11)16(21)12-2-1-3-12/h4-5,11-12H,1-3,6-10H2,(H,18,20)(H,22,23)
InChIKeyLFRWYBPGPQOFBS-UHFFFAOYSA-N
XLogP2.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid (CID 72890331) is 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)s1.
What is the InChIKey of 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is LFRWYBPGPQOFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c20-15(18-10-13-4-5-14(24-13)17(22)23)11-6-8-19(9-7-11)16(21)12-2-1-3-12/h4-5,11-12H,1-3,6-10H2,(H,18,20)(H,22,23).
What are the key properties of 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 350.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 72890331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).