ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate

C19H25N3O6S — CID 42349867

IUPACethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)CC1
InChIInChI=1S/C19H25N3O6S/c1-3-28-19(25)21-10-8-15(9-11-21)20-17(23)14-4-6-16(7-5-14)22-18(24)13(2)12-29(22,26)27/h4-7,13,15H,3,8-12H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyZDXIYCAOPYYRFB-CYBMUJFWSA-N
MW423.49 g/mol
LogP1.35
Rot. Bonds4

About ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate (PubChem CID 42349867) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate
PubChem CID42349867
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Nameethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)CC1
InChIInChI=1S/C19H25N3O6S/c1-3-28-19(25)21-10-8-15(9-11-21)20-17(23)14-4-6-16(7-5-14)22-18(24)13(2)12-29(22,26)27/h4-7,13,15H,3,8-12H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyZDXIYCAOPYYRFB-CYBMUJFWSA-N
XLogP1.35
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 26824225
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ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
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ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate
CID 110699015
N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996629

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate (CID 42349867) is ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is ZDXIYCAOPYYRFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-3-28-19(25)21-10-8-15(9-11-21)20-17(23)14-4-6-16(7-5-14)22-18(24)13(2)12-29(22,26)27/h4-7,13,15H,3,8-12H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 42349867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).