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

C16H19N3O5S — CID 20898558

IUPAC1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1
InChIInChI=1S/C16H19N3O5S/c17-15(21)11-5-8-18(9-6-11)16(22)12-1-3-13(4-2-12)19-14(20)7-10-25(19,23)24/h1-4,11H,5-10H2,(H2,17,21)
InChIKeyKBOPBYQJAHLVEU-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.09
Rot. Bonds3

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

1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 20898558) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
PubChem CID20898558
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1
InChIInChI=1S/C16H19N3O5S/c17-15(21)11-5-8-18(9-6-11)16(22)12-1-3-13(4-2-12)19-14(20)7-10-25(19,23)24/h1-4,11H,5-10H2,(H2,17,21)
InChIKeyKBOPBYQJAHLVEU-UHFFFAOYSA-N
XLogP0.09
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20996542
1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
CID 26824225
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110617196
2-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110312388
1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 46306967
4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
CID 20996614
1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
CID 7686132
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide
CID 22589921
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide
CID 39342102

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide (CID 20898558) is 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1.
What is the InChIKey of 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is KBOPBYQJAHLVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c17-15(21)11-5-8-18(9-6-11)16(22)12-1-3-13(4-2-12)19-14(20)7-10-25(19,23)24/h1-4,11H,5-10H2,(H2,17,21).
What are the key properties of 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide?
1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20898558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).