ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate

C16H21ClN2O3S — CID 26776895

IUPACethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3S/c1-2-22-16(21)19-9-7-13(8-10-19)18-15(20)11-23-14-5-3-12(17)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,18,20)
InChIKeyZUTXWURTCRBBQB-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.17
Rot. Bonds5

About ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate (PubChem CID 26776895) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
PubChem CID26776895
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Nameethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3S/c1-2-22-16(21)19-9-7-13(8-10-19)18-15(20)11-23-14-5-3-12(17)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,18,20)
InChIKeyZUTXWURTCRBBQB-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate
CID 51193856
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
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CID 86841431
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CID 31542176
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
ethyl 4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47051761
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
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CID 8616599
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate (CID 26776895) is ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate?
The InChIKey is ZUTXWURTCRBBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-2-22-16(21)19-9-7-13(8-10-19)18-15(20)11-23-14-5-3-12(17)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate has a molecular weight of 356.88 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 26776895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).