[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C17H26ClN3O3S — CID 119398113

IUPAC[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-18-12-14-5-3-8-19(13-14)17(21)15-6-2-7-16(11-15)20-9-4-10-24(20,22)23;/h2,6-7,11,14,18H,3-5,8-10,12-13H2,1H3;1H
InChIKeyIKFBJYSSGFQUFI-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.72
Rot. Bonds4

About [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119398113) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119398113
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-18-12-14-5-3-8-19(13-14)17(21)15-6-2-7-16(11-15)20-9-4-10-24(20,22)23;/h2,6-7,11,14,18H,3-5,8-10,12-13H2,1H3;1H
InChIKeyIKFBJYSSGFQUFI-UHFFFAOYSA-N
XLogP1.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
N-(2-aminoethyl)-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481760
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone;hydrochloride
CID 119633878
[3-(methylaminomethyl)piperidin-1-yl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 119398944
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815500
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119398113) is [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1.Cl.
What is the InChIKey of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is IKFBJYSSGFQUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-18-12-14-5-3-8-19(13-14)17(21)15-6-2-7-16(11-15)20-9-4-10-24(20,22)23;/h2,6-7,11,14,18H,3-5,8-10,12-13H2,1H3;1H.
What are the key properties of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 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)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119398113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).