ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate

C14H20N2O3S — CID 47125519

IUPACethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-2-19-13(17)11-5-7-16(8-6-11)14(18)15-10-12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,15,18)
InChIKeyXZYFBBIONPPPPR-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.23
Rot. Bonds4

About ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate

ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate (PubChem CID 47125519) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
PubChem CID47125519
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-2-19-13(17)11-5-7-16(8-6-11)14(18)15-10-12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,15,18)
InChIKeyXZYFBBIONPPPPR-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54867048
ethyl 1-[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993757
ethyl 1-[N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156400
ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 91950433
ethyl 1-[(5-fluoro-1-benzothiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylate
CID 60562915
ethyl (3S)-1-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidine-3-carboxylate
CID 98490889
ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate
CID 24574536
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 97039665
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate (CID 47125519) is ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NCc2cccs2)CC1.
What is the InChIKey of ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is XZYFBBIONPPPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-19-13(17)11-5-7-16(8-6-11)14(18)15-10-12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,15,18).
What are the key properties of ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate?
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 47125519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).