N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C22H24FN3O2S — CID 86966257

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)CC3Sc4ccccc4NC3=O)C2)c1
InChIInChI=1S/C22H24FN3O2S/c1-14-8-9-16(23)18(11-14)26-10-4-5-15(13-26)24-21(27)12-20-22(28)25-17-6-2-3-7-19(17)29-20/h2-3,6-9,11,15,20H,4-5,10,12-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyRSFRZIUIFWWYKF-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.72
Rot. Bonds4

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 86966257) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID86966257
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)CC3Sc4ccccc4NC3=O)C2)c1
InChIInChI=1S/C22H24FN3O2S/c1-14-8-9-16(23)18(11-14)26-10-4-5-15(13-26)24-21(27)12-20-22(28)25-17-6-2-3-7-19(17)29-20/h2-3,6-9,11,15,20H,4-5,10,12-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyRSFRZIUIFWWYKF-UHFFFAOYSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-(1-methylpiperidin-4-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 30837864
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]acetamide
CID 86965405
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965296
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 86965233
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 86966202
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329319

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 86966257) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is Cc1ccc(F)c(N2CCCC(NC(=O)CC3Sc4ccccc4NC3=O)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is RSFRZIUIFWWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-14-8-9-16(23)18(11-14)26-10-4-5-15(13-26)24-21(27)12-20-22(28)25-17-6-2-3-7-19(17)29-20/h2-3,6-9,11,15,20H,4-5,10,12-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 86966257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).