3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide

C15H21N3O3S — CID 119428215

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C15H21N3O3S/c19-15(17-13-5-2-7-16-11-13)12-4-1-6-14(10-12)18-8-3-9-22(18,20)21/h1,4,6,10,13,16H,2-3,5,7-9,11H2,(H,17,19)
InChIKeyWXAOSXKDEXWRFF-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.71
Rot. Bonds3

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide (PubChem CID 119428215) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide
PubChem CID119428215
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C15H21N3O3S/c19-15(17-13-5-2-7-16-11-13)12-4-1-6-14(10-12)18-8-3-9-22(18,20)21/h1,4,6,10,13,16H,2-3,5,7-9,11H2,(H,17,19)
InChIKeyWXAOSXKDEXWRFF-UHFFFAOYSA-N
XLogP0.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558574
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119463641
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537198
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119478135
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119478134
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 71917502
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944050
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
N-piperidin-3-ylbenzamide
CID 22017045
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532470
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide (CID 119428215) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide?
The InChIKey is WXAOSXKDEXWRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-15(17-13-5-2-7-16-11-13)12-4-1-6-14(10-12)18-8-3-9-22(18,20)21/h1,4,6,10,13,16H,2-3,5,7-9,11H2,(H,17,19).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide has a molecular weight of 323.42 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119428215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).