benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate

C17H22N2O3S — CID 14556727

IUPACbenzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESO=C([C@@H]1CSCN1C(=O)OCc1ccccc1)N1CCCCC1
InChIInChI=1S/C17H22N2O3S/c20-16(18-9-5-2-6-10-18)15-12-23-13-19(15)17(21)22-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m0/s1
InChIKeyJWZITSKEPFLZJT-HNNXBMFYSA-N
MW334.44 g/mol
LogP2.71
Rot. Bonds3

About benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate

benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 14556727) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
PubChem CID14556727
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Namebenzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
SMILESO=C([C@@H]1CSCN1C(=O)OCc1ccccc1)N1CCCCC1
InChIInChI=1S/C17H22N2O3S/c20-16(18-9-5-2-6-10-18)15-12-23-13-19(15)17(21)22-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m0/s1
InChIKeyJWZITSKEPFLZJT-HNNXBMFYSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-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

benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556728
benzyl 4-(2-methoxycarbonylpyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556723
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 93481134
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate (CID 14556727) is benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate is O=C([C@@H]1CSCN1C(=O)OCc1ccccc1)N1CCCCC1.
What is the InChIKey of benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is JWZITSKEPFLZJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-16(18-9-5-2-6-10-18)15-12-23-13-19(15)17(21)22-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m0/s1.
What are the key properties of benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate?
benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate has a molecular weight of 334.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-4-(piperidine-1-carbonyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 14556727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).