4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C19H30ClN3O3S — CID 119825539

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1C)C1CCNCC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-3-11-21(16-7-9-20-10-8-16)19(23)18-6-5-17(14-15(18)2)22-12-4-13-26(22,24)25;/h5-6,14,16,20H,3-4,7-13H2,1-2H3;1H
InChIKeyMINOIGYOKUVZIV-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.56
Rot. Bonds5

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119825539) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119825539
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1C)C1CCNCC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-3-11-21(16-7-9-20-10-8-16)19(23)18-6-5-17(14-15(18)2)22-12-4-13-26(22,24)25;/h5-6,14,16,20H,3-4,7-13H2,1-2H3;1H
InChIKeyMINOIGYOKUVZIV-UHFFFAOYSA-N
XLogP2.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532470
2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119826397
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537013
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanone
CID 120657274
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanone;hydrochloride
CID 119633721
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoic acid
CID 63653009
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825933
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]piperidine-4-carboxylic acid
CID 119349201
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
8-methyl-4-oxo-N-piperidin-4-yl-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119823486

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119825539) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1C)C1CCNCC1.Cl.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is MINOIGYOKUVZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-3-11-21(16-7-9-20-10-8-16)19(23)18-6-5-17(14-15(18)2)22-12-4-13-26(22,24)25;/h5-6,14,16,20H,3-4,7-13H2,1-2H3;1H.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119825539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).