[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

C17H23N3O6S — CID 32933999

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H23N3O6S/c1-25-9-6-18-17(24)19-14(21)11-26-16(23)12-4-7-20(8-5-12)15(22)13-3-2-10-27-13/h2-3,10,12H,4-9,11H2,1H3,(H2,18,19,21,24)
InChIKeyIWAFWMFJBAJEAB-UHFFFAOYSA-N
MW397.45 g/mol
LogP0.62
Rot. Bonds7

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 32933999) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID32933999
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H23N3O6S/c1-25-9-6-18-17(24)19-14(21)11-26-16(23)12-4-7-20(8-5-12)15(22)13-3-2-10-27-13/h2-3,10,12H,4-9,11H2,1H3,(H2,18,19,21,24)
InChIKeyIWAFWMFJBAJEAB-UHFFFAOYSA-N
XLogP0.62
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27542218
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 55475638
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697575
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697684
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697615
[2-(2-methoxyethylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 8854085
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697703
[2-(2,5-difluoroanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697581
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27542012
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27541943
2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46019392
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (CID 32933999) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is COCCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is IWAFWMFJBAJEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-25-9-6-18-17(24)19-14(21)11-26-16(23)12-4-7-20(8-5-12)15(22)13-3-2-10-27-13/h2-3,10,12H,4-9,11H2,1H3,(H2,18,19,21,24).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 32933999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).