ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate

C17H25NO4S — CID 23723315

IUPACethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C17H25NO4S/c1-3-22-16(20)17(7-10-21-2)5-8-18(9-6-17)15(19)12-14-4-11-23-13-14/h4,11,13H,3,5-10,12H2,1-2H3
InChIKeyKSJMBBDVAUECQU-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.50
Rot. Bonds7

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

ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate (PubChem CID 23723315) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate
PubChem CID23723315
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Nameethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C17H25NO4S/c1-3-22-16(20)17(7-10-21-2)5-8-18(9-6-17)15(19)12-14-4-11-23-13-14/h4,11,13H,3,5-10,12H2,1-2H3
InChIKeyKSJMBBDVAUECQU-UHFFFAOYSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(2-methoxyethyl)-1-[(3-methyl-2-thienyl)carbonyl]-4-piperidinecarboxylate
CID 16191813
N-Methyl-N-[(oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91914991
Ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate
CID 2334424
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 53150814
3-Thiopheneacetamide, N-[2-[4-(2-methoxyethyl)-1-piperidinyl]-2-oxoethyl]-N-methyl-
CID 53151075
1-(11-Ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone
CID 131656263
1-{4-[(Dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-2-(3-thienyl)-1-ethanone
CID 91927467
Methyl 6-(2-(thiophen-3-yl)acetyl)-6-azaspiro[2.5]octane-1-carboxylate
CID 121021108
1-(11-Methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone
CID 131644445
Ethyl 4-(2,6-dioxo-4-thiophen-3-ylpiperidin-1-yl)-2,3-dimethylbutanoate
CID 67899888
Ethyl 4-(2,6-dioxo-4-thiophen-3-ylpiperidin-1-yl)-2-ethylbutanoate
CID 67900163
1-O-tert-butyl 4-O-methyl 4-(thiophen-3-ylmethyl)piperidine-1,4-dicarboxylate
CID 69576738

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate (CID 23723315) is ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate?
The InChIKey is KSJMBBDVAUECQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-3-22-16(20)17(7-10-21-2)5-8-18(9-6-17)15(19)12-14-4-11-23-13-14/h4,11,13H,3,5-10,12H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate?
ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethyl)-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 23723315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).