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

C14H22N2O4S — CID 61010538

IUPACmethyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CCN1CCSC1=O
InChIInChI=1S/C14H22N2O4S/c1-20-13(18)10-11-4-2-3-6-16(11)12(17)5-7-15-8-9-21-14(15)19/h11H,2-10H2,1H3
InChIKeySDGLKGJNCDJENH-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.49
Rot. Bonds5

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

methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate (PubChem CID 61010538) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate
PubChem CID61010538
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Namemethyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CCN1CCSC1=O
InChIInChI=1S/C14H22N2O4S/c1-20-13(18)10-11-4-2-3-6-16(11)12(17)5-7-15-8-9-21-14(15)19/h11H,2-10H2,1H3
InChIKeySDGLKGJNCDJENH-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 43421215
methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate
CID 61010949
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[6,7-dimethoxy-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 55429503
2-methyl-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 79363684
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidin-2-yl]acetate
CID 61010841
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684
methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 43410731
4-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022100

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate (CID 61010538) is methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)CCN1CCSC1=O.
What is the InChIKey of methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate?
The InChIKey is SDGLKGJNCDJENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-20-13(18)10-11-4-2-3-6-16(11)12(17)5-7-15-8-9-21-14(15)19/h11H,2-10H2,1H3.
What are the key properties of methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate?
methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate has a molecular weight of 314.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61010538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).