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

C17H21N3O5S — CID 26824225

IUPAC1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
SMILESC[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)C1=O
InChIInChI=1S/C17H21N3O5S/c1-11-10-26(24,25)20(16(11)22)14-4-2-13(3-5-14)17(23)19-8-6-12(7-9-19)15(18)21/h2-5,11-12H,6-10H2,1H3,(H2,18,21)/t11-/m1/s1
InChIKeyCFQNNPUGSOZSMI-LLVKDONJSA-N
MW379.44 g/mol
LogP0.34
Rot. Bonds3

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

1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide (PubChem CID 26824225) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
PubChem CID26824225
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
SMILESC[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)C1=O
InChIInChI=1S/C17H21N3O5S/c1-11-10-26(24,25)20(16(11)22)14-4-2-13(3-5-14)17(23)19-8-6-12(7-9-19)15(18)21/h2-5,11-12H,6-10H2,1H3,(H2,18,21)/t11-/m1/s1
InChIKeyCFQNNPUGSOZSMI-LLVKDONJSA-N
XLogP0.34
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
CID 20996614
1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 46306967
ethyl 4-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperazine-1-carboxylate
CID 26824250
1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 20898558
ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate
CID 42349867
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20996542
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 110301572
N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide
CID 20996678
N-butyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006908
N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide (CID 26824225) is 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide is C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)C1=O.
What is the InChIKey of 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide?
The InChIKey is CFQNNPUGSOZSMI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-11-10-26(24,25)20(16(11)22)14-4-2-13(3-5-14)17(23)19-8-6-12(7-9-19)15(18)21/h2-5,11-12H,6-10H2,1H3,(H2,18,21)/t11-/m1/s1.
What are the key properties of 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide?
1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 26824225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).