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

C17H25N3O3S — CID 119558574

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H25N3O3S/c21-17(19-9-7-14-4-2-8-18-13-14)15-5-1-6-16(12-15)20-10-3-11-24(20,22)23/h1,5-6,12,14,18H,2-4,7-11,13H2,(H,19,21)
InChIKeyXRXWKSSFFSMMLW-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.35
Rot. Bonds5

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

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119558574) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119558574
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H25N3O3S/c21-17(19-9-7-14-4-2-8-18-13-14)15-5-1-6-16(12-15)20-10-3-11-24(20,22)23/h1,5-6,12,14,18H,2-4,7-11,13H2,(H,19,21)
InChIKeyXRXWKSSFFSMMLW-UHFFFAOYSA-N
XLogP1.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.35
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-pyrrolidin-3-ylethyl)benzamide
CID 119537198
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-piperidin-3-ylbenzamide
CID 119428215
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537013
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944050
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997
N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119559473

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide (CID 119558574) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is XRXWKSSFFSMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-17(19-9-7-14-4-2-8-18-13-14)15-5-1-6-16(12-15)20-10-3-11-24(20,22)23/h1,5-6,12,14,18H,2-4,7-11,13H2,(H,19,21).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 351.47 g/mol, XLogP of 1.35, 5 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-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119558574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).