2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide

C21H25N3O4S — CID 25116567

IUPAC2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
SMILESO=C(CC1c2ccccc2S(=O)(=O)N1C1CCN(Cc2ccccc2)CC1)NO
InChIInChI=1S/C21H25N3O4S/c25-21(22-26)14-19-18-8-4-5-9-20(18)29(27,28)24(19)17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,19,26H,10-15H2,(H,22,25)
InChIKeyHGTSFZOBRLZPOR-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide

2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide (PubChem CID 25116567) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
PubChem CID25116567
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
SMILESO=C(CC1c2ccccc2S(=O)(=O)N1C1CCN(Cc2ccccc2)CC1)NO
InChIInChI=1S/C21H25N3O4S/c25-21(22-26)14-19-18-8-4-5-9-20(18)29(27,28)24(19)17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,19,26H,10-15H2,(H,22,25)
InChIKeyHGTSFZOBRLZPOR-UHFFFAOYSA-N
XLogP2.29
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-2-(1-benzylpiperidin-4-yl)-5-fluoro-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one
CID 25011245
1-[(3S)-2-(1-benzylpiperidin-4-yl)-5,7-difluoro-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one
CID 25011256
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 50984132
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
2-[1,1-dioxo-2-(4-pyrazol-1-ylphenyl)-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
CID 59613961
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
methyl (2S,4R)-4-amino-1-(1-benzylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 141357307
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
2-[1,1-dioxo-2-[3-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
CID 25115633

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide (CID 25116567) is 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide is O=C(CC1c2ccccc2S(=O)(=O)N1C1CCN(Cc2ccccc2)CC1)NO.
What is the InChIKey of 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide?
The InChIKey is HGTSFZOBRLZPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-21(22-26)14-19-18-8-4-5-9-20(18)29(27,28)24(19)17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,19,26H,10-15H2,(H,22,25).
What are the key properties of 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide?
2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide has a molecular weight of 415.52 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylpiperidin-4-yl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide is sourced from PubChem (CID 25116567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).