ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate

C15H20N2O4S — CID 27555265

IUPACethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(=O)c2cccs2)CC1
InChIInChI=1S/C15H20N2O4S/c1-2-21-15(20)11-5-7-17(8-6-11)13(18)10-16-14(19)12-4-3-9-22-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,19)
InChIKeyCUEKSNUBABGSOR-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.28
Rot. Bonds5

About ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate (PubChem CID 27555265) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
PubChem CID27555265
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Nameethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(=O)c2cccs2)CC1
InChIInChI=1S/C15H20N2O4S/c1-2-21-15(20)11-5-7-17(8-6-11)13(18)10-16-14(19)12-4-3-9-22-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,19)
InChIKeyCUEKSNUBABGSOR-UHFFFAOYSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
ethyl 1-[N'-methyl-N-[3-(thiophene-2-carbonylamino)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156854
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
ethyl 1-[2-(furan-3-carbonylamino)acetyl]piperidine-4-carboxylate
CID 46430018
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823
N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 115775171
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 91945727
methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate
CID 55318575

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate (CID 27555265) is ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNC(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate?
The InChIKey is CUEKSNUBABGSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-21-15(20)11-5-7-17(8-6-11)13(18)10-16-14(19)12-4-3-9-22-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,19).
What are the key properties of ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate has a molecular weight of 324.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 27555265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).