ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate

C14H21N3O3S — CID 115285967

IUPACethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-20-14(19)17-7-5-10(6-8-17)16-13(18)12(15)11-4-3-9-21-11/h3-4,9-10,12H,2,5-8,15H2,1H3,(H,16,18)
InChIKeyNZUIMUOZEAABJE-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.49
Rot. Bonds4

About ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate (PubChem CID 115285967) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
PubChem CID115285967
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-20-14(19)17-7-5-10(6-8-17)16-13(18)12(15)11-4-3-9-21-11/h3-4,9-10,12H,2,5-8,15H2,1H3,(H,16,18)
InChIKeyNZUIMUOZEAABJE-UHFFFAOYSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866073
ethyl 4-[[N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111029870
ethyl 4-[[N'-(thiophen-2-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111026488
ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 43783023
2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 113279219
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
ethyl 4-[[N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111328704
ethyl 4-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111327230
ethyl 4-[[N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328703

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate (CID 115285967) is ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(N)c2cccs2)CC1.
What is the InChIKey of ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate?
The InChIKey is NZUIMUOZEAABJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-20-14(19)17-7-5-10(6-8-17)16-13(18)12(15)11-4-3-9-21-11/h3-4,9-10,12H,2,5-8,15H2,1H3,(H,16,18).
What are the key properties of ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 115285967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).