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

C17H19N5O3S — CID 47028113

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCn1cc(NC(=O)C2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cn1
InChIInChI=1S/C17H19N5O3S/c1-21-11-13(9-18-21)19-17(23)12-5-4-8-22(10-12)16-14-6-2-3-7-15(14)26(24,25)20-16/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,19,23)
InChIKeyDWMNSFMCICBYCV-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.22
Rot. Bonds2

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

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide (PubChem CID 47028113) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide
PubChem CID47028113
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCn1cc(NC(=O)C2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cn1
InChIInChI=1S/C17H19N5O3S/c1-21-11-13(9-18-21)19-17(23)12-5-4-8-22(10-12)16-14-6-2-3-7-15(14)26(24,25)20-16/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,19,23)
InChIKeyDWMNSFMCICBYCV-UHFFFAOYSA-N
XLogP1.22
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide (CID 47028113) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide is Cn1cc(NC(=O)C2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cn1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide?
The InChIKey is DWMNSFMCICBYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-21-11-13(9-18-21)19-17(23)12-5-4-8-22(10-12)16-14-6-2-3-7-15(14)26(24,25)20-16/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,19,23).
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methylpyrazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47028113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).