3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione

C15H14ClFN2O3S — CID 121156899

IUPAC3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C15H14ClFN2O3S/c16-12-7-9(17)1-2-11(12)14(21)18-5-3-10(4-6-18)19-13(20)8-23-15(19)22/h1-2,7,10H,3-6,8H2
InChIKeyRQRNXODEJLYOPQ-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.78
Rot. Bonds2

About 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione

3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121156899) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121156899
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C15H14ClFN2O3S/c16-12-7-9(17)1-2-11(12)14(21)18-5-3-10(4-6-18)19-13(20)8-23-15(19)22/h1-2,7,10H,3-6,8H2
InChIKeyRQRNXODEJLYOPQ-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione 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

3-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156884
N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46461988
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616295
4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
CID 25269089
3-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157074
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 86265737
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157155
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione (CID 121156899) is 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione is O=C(c1ccc(F)cc1Cl)N1CCC(N2C(=O)CSC2=O)CC1.
What is the InChIKey of 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is RQRNXODEJLYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c16-12-7-9(17)1-2-11(12)14(21)18-5-3-10(4-6-18)19-13(20)8-23-15(19)22/h1-2,7,10H,3-6,8H2.
What are the key properties of 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione?
3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 356.81 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121156899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).