ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate

C14H22N2O4S — CID 43408446

IUPACethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN2CCSC2=O)CC1
InChIInChI=1S/C14H22N2O4S/c1-2-20-13(18)11-3-6-15(7-4-11)12(17)5-8-16-9-10-21-14(16)19/h11H,2-10H2,1H3
InChIKeyXIOOHDHOQOSTIQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.35
Rot. Bonds5

About ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 43408446) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate
PubChem CID43408446
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nameethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN2CCSC2=O)CC1
InChIInChI=1S/C14H22N2O4S/c1-2-20-13(18)11-3-6-15(7-4-11)12(17)5-8-16-9-10-21-14(16)19/h11H,2-10H2,1H3
InChIKeyXIOOHDHOQOSTIQ-UHFFFAOYSA-N
XLogP1.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]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

Related Compounds

4-O-methyl 1-O-(2-methylpropyl) 4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1,4-dicarboxylate
CID 87277998
2-(2-Ethoxy-2-oxoethyl)-4-(3-methylbutyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 88183265
Ethyl 4-[4-(3-methylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate
CID 3351885
Ethyl 4-[4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate
CID 3636839
Ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 3706919
Ethyl 1-(1-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 17082527
Ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 42744745
1-[3-(2-Oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylic acid
CID 43170484
Ethyl 1-(2-butylsulfanylacetyl)piperidine-4-carboxylate
CID 43403858
Ethyl 1-(2-methylsulfanylacetyl)piperidine-4-carboxylate
CID 43404233
Ethyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate
CID 43404235
Ethyl 1-(2-tert-butylsulfanylacetyl)piperidine-4-carboxylate
CID 43404236

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate (CID 43408446) is ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCN2CCSC2=O)CC1.
What is the InChIKey of ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate?
The InChIKey is XIOOHDHOQOSTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-2-20-13(18)11-3-6-15(7-4-11)12(17)5-8-16-9-10-21-14(16)19/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43408446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).