[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate

C21H20F2N2O6S — CID 55555957

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESO=C(COC(=O)C1CCCN(C(=O)c2cccs2)C1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H20F2N2O6S/c22-21(23)31-15-7-5-13(6-8-15)18(27)24-17(26)12-30-20(29)14-3-1-9-25(11-14)19(28)16-4-2-10-32-16/h2,4-8,10,14,21H,1,3,9,11-12H2,(H,24,26,27)
InChIKeyOOQWPAPJLGDLGT-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.70
Rot. Bonds7

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 55555957) has the molecular formula C21H20F2N2O6S and a molecular weight of 466.46 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
PubChem CID55555957
Molecular FormulaC21H20F2N2O6S
Molecular Weight466.46 g/mol
Exact Mass466.10
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESO=C(COC(=O)C1CCCN(C(=O)c2cccs2)C1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H20F2N2O6S/c22-21(23)31-15-7-5-13(6-8-15)18(27)24-17(26)12-30-20(29)14-3-1-9-25(11-14)19(28)16-4-2-10-32-16/h2,4-8,10,14,21H,1,3,9,11-12H2,(H,24,26,27)
InChIKeyOOQWPAPJLGDLGT-UHFFFAOYSA-N
XLogP2.70
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426204
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555855
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701421
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322574
[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55557016
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697575
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 32933999
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555852
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660896

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (CID 55555957) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is O=C(COC(=O)C1CCCN(C(=O)c2cccs2)C1)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is OOQWPAPJLGDLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O6S/c22-21(23)31-15-7-5-13(6-8-15)18(27)24-17(26)12-30-20(29)14-3-1-9-25(11-14)19(28)16-4-2-10-32-16/h2,4-8,10,14,21H,1,3,9,11-12H2,(H,24,26,27).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 466.46 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 55555957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).