methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate

C13H20N2O4S — CID 61010949

IUPACmethyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CN1CSCC1=O
InChIInChI=1S/C13H20N2O4S/c1-19-13(18)6-10-4-2-3-5-15(10)11(16)7-14-9-20-8-12(14)17/h10H,2-9H2,1H3
InChIKeyLYIFSXZQZFLNIS-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.46
Rot. Bonds4

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

methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate (PubChem CID 61010949) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate
PubChem CID61010949
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CN1CSCC1=O
InChIInChI=1S/C13H20N2O4S/c1-19-13(18)6-10-4-2-3-5-15(10)11(16)7-14-9-20-8-12(14)17/h10H,2-9H2,1H3
InChIKeyLYIFSXZQZFLNIS-UHFFFAOYSA-N
XLogP0.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 79028449
methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate
CID 61010841
3-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 62468958
3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95347001
methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate
CID 61010538
methyl 2-[(2S)-1-[2-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]piperidin-2-yl]acetate
CID 99845526
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate (CID 61010949) is methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)CN1CSCC1=O.
What is the InChIKey of methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate?
The InChIKey is LYIFSXZQZFLNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-19-13(18)6-10-4-2-3-5-15(10)11(16)7-14-9-20-8-12(14)17/h10H,2-9H2,1H3.
What are the key properties of methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate has a molecular weight of 300.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61010949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).