1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide

C17H19FN4O4S — CID 22515228

IUPAC1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide
SMILESCN1C(C(=O)N2CCC(C(N)=O)CC2)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C17H19FN4O4S/c1-21-15(17(24)22-8-6-12(7-9-22)16(19)23)10-14(20-27(21,25)26)11-2-4-13(18)5-3-11/h2-5,10,12H,6-9H2,1H3,(H2,19,23)
InChIKeyQIPYUINAYDUVEJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP0.41
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide

1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 22515228) has the molecular formula C17H19FN4O4S and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide
PubChem CID22515228
Molecular FormulaC17H19FN4O4S
Molecular Weight394.43 g/mol
Exact Mass394.11
IUPAC Name1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide
SMILESCN1C(C(=O)N2CCC(C(N)=O)CC2)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C17H19FN4O4S/c1-21-15(17(24)22-8-6-12(7-9-22)16(19)23)10-14(20-27(21,25)26)11-2-4-13(18)5-3-11/h2-5,10,12H,6-9H2,1H3,(H2,19,23)
InChIKeyQIPYUINAYDUVEJ-UHFFFAOYSA-N
XLogP0.41
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide (CID 22515228) is 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide is CN1C(C(=O)N2CCC(C(N)=O)CC2)=CC(c2ccc(F)cc2)=NS1(=O)=O.
What is the InChIKey of 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is QIPYUINAYDUVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4S/c1-21-15(17(24)22-8-6-12(7-9-22)16(19)23)10-14(20-27(21,25)26)11-2-4-13(18)5-3-11/h2-5,10,12H,6-9H2,1H3,(H2,19,23).
What are the key properties of 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide?
1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 22515228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).