ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate

C16H25NO4S — CID 4610762

IUPACethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(O)COCc2cccs2)CC1
InChIInChI=1S/C16H25NO4S/c1-2-21-16(19)13-5-7-17(8-6-13)10-14(18)11-20-12-15-4-3-9-22-15/h3-4,9,13-14,18H,2,5-8,10-12H2,1H3
InChIKeyBKPIMSOQVFURHI-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.90
Rot. Bonds8

About ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate

ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate (PubChem CID 4610762) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate
PubChem CID4610762
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Nameethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(O)COCc2cccs2)CC1
InChIInChI=1S/C16H25NO4S/c1-2-21-16(19)13-5-7-17(8-6-13)10-14(18)11-20-12-15-4-3-9-22-15/h3-4,9,13-14,18H,2,5-8,10-12H2,1H3
InChIKeyBKPIMSOQVFURHI-UHFFFAOYSA-N
XLogP1.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]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-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate (CID 4610762) is ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(O)COCc2cccs2)CC1.
What is the InChIKey of ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate?
The InChIKey is BKPIMSOQVFURHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-2-21-16(19)13-5-7-17(8-6-13)10-14(18)11-20-12-15-4-3-9-22-15/h3-4,9,13-14,18H,2,5-8,10-12H2,1H3.
What are the key properties of ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate?
ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate has a molecular weight of 327.45 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate is sourced from PubChem (CID 4610762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).