ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate

C22H25NO5S — CID 55397223

IUPACethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C22H25NO5S/c1-2-27-22(26)19-9-5-6-12-23(19)20(24)14-28-21(25)15-29-18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13,19H,2,5-6,9,12,14-15H2,1H3
InChIKeyLTVAAXOKGYXWLA-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.42
Rot. Bonds7

About ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate

ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate (PubChem CID 55397223) has the molecular formula C22H25NO5S and a molecular weight of 415.51 g/mol. Its IUPAC name is ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate
PubChem CID55397223
Molecular FormulaC22H25NO5S
Molecular Weight415.51 g/mol
Exact Mass415.15
IUPAC Nameethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C22H25NO5S/c1-2-27-22(26)19-9-5-6-12-23(19)20(24)14-28-21(25)15-29-18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13,19H,2,5-6,9,12,14-15H2,1H3
InChIKeyLTVAAXOKGYXWLA-UHFFFAOYSA-N
XLogP3.42
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-4-carboxylate
CID 7795692
ethyl 1-[2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxyacetyl]piperidine-2-carboxylate
CID 55402235
ethyl 1-[2-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyloxy]acetyl]piperidine-2-carboxylate
CID 55473443
[2-(2-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 55400404
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 16525634
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642798
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
ethyl (2R)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperidine-2-carboxylate
CID 40673761
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795699
ethyl 1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylate
CID 79490156
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate
CID 8653445

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate (CID 55397223) is ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)COC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate?
The InChIKey is LTVAAXOKGYXWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5S/c1-2-27-22(26)19-9-5-6-12-23(19)20(24)14-28-21(25)15-29-18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13,19H,2,5-6,9,12,14-15H2,1H3.
What are the key properties of ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate?
ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate has a molecular weight of 415.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 55397223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).