N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C13H24ClN3O2S — CID 120557816

IUPACN-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1CSCC1C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-3-12(17)16-8-19-7-11(16)13(18)15-10-4-5-14-6-9(10)2;/h9-11,14H,3-8H2,1-2H3,(H,15,18);1H
InChIKeyIOSLMDBITOHTTI-UHFFFAOYSA-N
MW321.87 g/mol
LogP0.83
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 120557816) has the molecular formula C13H24ClN3O2S and a molecular weight of 321.87 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID120557816
Molecular FormulaC13H24ClN3O2S
Molecular Weight321.87 g/mol
Exact Mass321.13
IUPAC NameN-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1CSCC1C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-3-12(17)16-8-19-7-11(16)13(18)15-10-4-5-14-6-9(10)2;/h9-11,14H,3-8H2,1-2H3,(H,15,18);1H
InChIKeyIOSLMDBITOHTTI-UHFFFAOYSA-N
XLogP0.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119456046
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
CID 120577010
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
N-(3-methylpiperidin-4-yl)cyclohexanecarboxamide;hydrochloride
CID 120557474
N-(3-methylpiperidin-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 120556652
1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120556752
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120553416
(2S)-3-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 119359474
N-(3-methylpiperidin-4-yl)oxane-4-carboxamide
CID 79886712
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119458398

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 120557816) is N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCC(=O)N1CSCC1C(=O)NC1CCNCC1C.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IOSLMDBITOHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S.ClH/c1-3-12(17)16-8-19-7-11(16)13(18)15-10-4-5-14-6-9(10)2;/h9-11,14H,3-8H2,1-2H3,(H,15,18);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120557816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).