ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate

C12H20N2O3S — CID 43119958

IUPACethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C12H20N2O3S/c1-2-17-12(16)9-3-5-14(6-4-9)11(15)10-7-18-8-13-10/h9-10,13H,2-8H2,1H3
InChIKeyAFCGTGKVGOIVAQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.45
Rot. Bonds3

About ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 43119958) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID43119958
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Nameethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C12H20N2O3S/c1-2-17-12(16)9-3-5-14(6-4-9)11(15)10-7-18-8-13-10/h9-10,13H,2-8H2,1H3
InChIKeyAFCGTGKVGOIVAQ-UHFFFAOYSA-N
XLogP0.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 58619011
methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate;dihydrochloride
CID 67508133
methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate
CID 67508134
butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 71097499
Ethyl 2-[4-(3-methylbutyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]acetate
CID 88185997
methyl (3R)-9-(2-methylpropanoyl)-1-thia-4,9-diazaspiro[4.5]decane-3-carboxylate
CID 169318374
methyl (3R)-9-[(2S)-2-amino-3-methylbutanoyl]-1-thia-4,9-diazaspiro[4.5]decane-3-carboxylate
CID 169318609
methyl (3R)-8-[(2S)-2-amino-3-methylbutanoyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 169318766
ethyl 4-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]butanoate
CID 175145031
(2S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 1794422
Ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 3706919
ethyl 1-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772881

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate (CID 43119958) is ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is AFCGTGKVGOIVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-17-12(16)9-3-5-14(6-4-9)11(15)10-7-18-8-13-10/h9-10,13H,2-8H2,1H3.
What are the key properties of ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 272.37 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43119958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).