ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate

C16H26N2O4S — CID 42744622

IUPACethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C(C)C)C1
InChIInChI=1S/C16H26N2O4S/c1-4-22-16(21)12-6-5-7-17(8-12)15(20)13-9-23-10-18(13)14(19)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyUCVZMTYLJLCBDT-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.35
Rot. Bonds4

About ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate (PubChem CID 42744622) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
PubChem CID42744622
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Nameethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C(C)C)C1
InChIInChI=1S/C16H26N2O4S/c1-4-22-16(21)12-6-5-7-17(8-12)15(20)13-9-23-10-18(13)14(19)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyUCVZMTYLJLCBDT-UHFFFAOYSA-N
XLogP1.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate (CID 42744622) is ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)C(C)C)C1.
What is the InChIKey of ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is UCVZMTYLJLCBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-22-16(21)12-6-5-7-17(8-12)15(20)13-9-23-10-18(13)14(19)11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 342.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42744622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).