ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate

C15H23NO2S — CID 62027079

IUPACethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(CC)s2)CC1
InChIInChI=1S/C15H23NO2S/c1-3-13-5-6-14(19-13)11-16-9-7-12(8-10-16)15(17)18-4-2/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyPOMOTKVKBQZTQB-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.09
Rot. Bonds5

About ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 62027079) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate
PubChem CID62027079
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Nameethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(CC)s2)CC1
InChIInChI=1S/C15H23NO2S/c1-3-13-5-6-14(19-13)11-16-9-7-12(8-10-16)15(17)18-4-2/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyPOMOTKVKBQZTQB-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate (CID 62027079) is ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc(CC)s2)CC1.
What is the InChIKey of ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is POMOTKVKBQZTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-13-5-6-14(19-13)11-16-9-7-12(8-10-16)15(17)18-4-2/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 281.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 62027079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).