methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate

C12H18N2O4S — CID 43407253

IUPACmethyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C12H18N2O4S/c1-18-12(17)9-2-4-13(5-3-9)10(15)6-14-8-19-7-11(14)16/h9H,2-8H2,1H3
InChIKeyXSXRMJSABGXPPF-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.07
Rot. Bonds3

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

methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate (PubChem CID 43407253) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate
PubChem CID43407253
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C12H18N2O4S/c1-18-12(17)9-2-4-13(5-3-9)10(15)6-14-8-19-7-11(14)16/h9H,2-8H2,1H3
InChIKeyXSXRMJSABGXPPF-UHFFFAOYSA-N
XLogP-0.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate (CID 43407253) is methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN2CSCC2=O)CC1.
What is the InChIKey of methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is XSXRMJSABGXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-12(17)9-2-4-13(5-3-9)10(15)6-14-8-19-7-11(14)16/h9H,2-8H2,1H3.
What are the key properties of methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 286.35 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43407253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).