ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate

C14H22N2O2S — CID 19094019

IUPACethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCc2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-18-14(17)16-8-4-13(5-9-16)15-7-3-12-6-10-19-11-12/h6,10-11,13,15H,2-5,7-9H2,1H3
InChIKeyNIUOERRXUDUWEB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.50
Rot. Bonds5

About ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate

ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate (PubChem CID 19094019) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate
PubChem CID19094019
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCc2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-18-14(17)16-8-4-13(5-9-16)15-7-3-12-6-10-19-11-12/h6,10-11,13,15H,2-5,7-9H2,1H3
InChIKeyNIUOERRXUDUWEB-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate (CID 19094019) is ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCc2ccsc2)CC1.
What is the InChIKey of ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate?
The InChIKey is NIUOERRXUDUWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-18-14(17)16-8-4-13(5-9-16)15-7-3-12-6-10-19-11-12/h6,10-11,13,15H,2-5,7-9H2,1H3.
What are the key properties of ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate?
ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 19094019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).