N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide

C21H25N3O3S — CID 46979712

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21(17-5-9-19(10-6-17)23-13-2-1-3-14-23)22-18-7-11-20(12-8-18)24-15-4-16-28(24,26)27/h5-12H,1-4,13-16H2,(H,22,25)
InChIKeyHKMGZNGGURHBGO-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.47
Rot. Bonds4

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide (PubChem CID 46979712) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
PubChem CID46979712
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21(17-5-9-19(10-6-17)23-13-2-1-3-14-23)22-18-7-11-20(12-8-18)24-15-4-16-28(24,26)27/h5-12H,1-4,13-16H2,(H,22,25)
InChIKeyHKMGZNGGURHBGO-UHFFFAOYSA-N
XLogP3.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
CID 55432816
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669414
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581814

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide (CID 46979712) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide?
The InChIKey is HKMGZNGGURHBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21(17-5-9-19(10-6-17)23-13-2-1-3-14-23)22-18-7-11-20(12-8-18)24-15-4-16-28(24,26)27/h5-12H,1-4,13-16H2,(H,22,25).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide has a molecular weight of 399.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 46979712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).