1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide

C20H21N3O3S — CID 2570923

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C20H21N3O3S/c1-14-6-2-4-8-17(14)21-20(24)15-10-12-23(13-11-15)19-16-7-3-5-9-18(16)27(25,26)22-19/h2-9,15H,10-13H2,1H3,(H,21,24)
InChIKeyBXCIIPOBOKAOGF-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.79
Rot. Bonds2

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide (PubChem CID 2570923) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide
PubChem CID2570923
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C20H21N3O3S/c1-14-6-2-4-8-17(14)21-20(24)15-10-12-23(13-11-15)19-16-7-3-5-9-18(16)27(25,26)22-19/h2-9,15H,10-13H2,1H3,(H,21,24)
InChIKeyBXCIIPOBOKAOGF-UHFFFAOYSA-N
XLogP2.79
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide (CID 2570923) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide is Cc1ccccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is BXCIIPOBOKAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-6-2-4-8-17(14)21-20(24)15-10-12-23(13-11-15)19-16-7-3-5-9-18(16)27(25,26)22-19/h2-9,15H,10-13H2,1H3,(H,21,24).
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2570923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).