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

C13H20N2O4S — CID 43408418

IUPACmethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCN2CCSC2=O)CC1
InChIInChI=1S/C13H20N2O4S/c1-19-12(17)10-2-5-14(6-3-10)11(16)4-7-15-8-9-20-13(15)18/h10H,2-9H2,1H3
InChIKeyCIYINXDZDBXYDY-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.96
Rot. Bonds4

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

methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 43408418) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate
PubChem CID43408418
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCN2CCSC2=O)CC1
InChIInChI=1S/C13H20N2O4S/c1-19-12(17)10-2-5-14(6-3-10)11(16)4-7-15-8-9-20-13(15)18/h10H,2-9H2,1H3
InChIKeyCIYINXDZDBXYDY-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 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
Methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate
CID 87278185
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
Methyl 1-(1-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 17082614
2-[2-(4-Methoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 43091410
1-[3-(2-Oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylic acid
CID 43170484
Methyl 1-(2-butylsulfanylacetyl)piperidine-4-carboxylate
CID 43403843
Ethyl 1-(2-methylsulfanylacetyl)piperidine-4-carboxylate
CID 43404233
Methyl 1-(2-methylsulfanylacetyl)piperidine-4-carboxylate
CID 43404785
Methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate
CID 43404787

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate (CID 43408418) is methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCN2CCSC2=O)CC1.
What is the InChIKey of methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate?
The InChIKey is CIYINXDZDBXYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-19-12(17)10-2-5-14(6-3-10)11(16)4-7-15-8-9-20-13(15)18/h10H,2-9H2,1H3.
What are the key properties of methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate?
methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43408418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).