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

C17H20ClN3O5S — CID 46306967

IUPAC1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
SMILESCC1CS(=O)(=O)N(c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)C1=O
InChIInChI=1S/C17H20ClN3O5S/c1-10-9-27(25,26)21(16(10)23)14-8-12(2-3-13(14)18)17(24)20-6-4-11(5-7-20)15(19)22/h2-3,8,10-11H,4-7,9H2,1H3,(H2,19,22)
InChIKeyGWHFABSEZIQWIL-UHFFFAOYSA-N
MW413.88 g/mol
LogP0.99
Rot. Bonds3

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

1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 46306967) has the molecular formula C17H20ClN3O5S and a molecular weight of 413.88 g/mol. Its IUPAC name is 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
PubChem CID46306967
Molecular FormulaC17H20ClN3O5S
Molecular Weight413.88 g/mol
Exact Mass413.08
IUPAC Name1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
SMILESCC1CS(=O)(=O)N(c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)C1=O
InChIInChI=1S/C17H20ClN3O5S/c1-10-9-27(25,26)21(16(10)23)14-8-12(2-3-13(14)18)17(24)20-6-4-11(5-7-20)15(19)22/h2-3,8,10-11H,4-7,9H2,1H3,(H2,19,22)
InChIKeyGWHFABSEZIQWIL-UHFFFAOYSA-N
XLogP0.99
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
CID 26824225
ethyl 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-3-carboxylate
CID 46306978
4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
CID 20996614
1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 31307506
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
N-(3-bromo-4-methylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307044
1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide
CID 110682939
4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46307056
4-chloro-N-(2-methoxyphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307045
4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307090
4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307079
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide (CID 46306967) is 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide is CC1CS(=O)(=O)N(c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)C1=O.
What is the InChIKey of 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is GWHFABSEZIQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5S/c1-10-9-27(25,26)21(16(10)23)14-8-12(2-3-13(14)18)17(24)20-6-4-11(5-7-20)15(19)22/h2-3,8,10-11H,4-7,9H2,1H3,(H2,19,22).
What are the key properties of 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 413.88 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 46306967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).