1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C22H24FN3O4S — CID 90610546

IUPAC1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(c3nc4c(F)cccc4s3)C2)cc(OC)c1OC
InChIInChI=1S/C22H24FN3O4S/c1-28-16-10-14(11-17(29-2)20(16)30-3)24-21(27)13-6-5-9-26(12-13)22-25-19-15(23)7-4-8-18(19)31-22/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3,(H,24,27)
InChIKeyKWSVKPYZTLBNGV-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.32
Rot. Bonds6

About 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 90610546) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
PubChem CID90610546
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(c3nc4c(F)cccc4s3)C2)cc(OC)c1OC
InChIInChI=1S/C22H24FN3O4S/c1-28-16-10-14(11-17(29-2)20(16)30-3)24-21(27)13-6-5-9-26(12-13)22-25-19-15(23)7-4-8-18(19)31-22/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3,(H,24,27)
InChIKeyKWSVKPYZTLBNGV-UHFFFAOYSA-N
XLogP4.32
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610490
N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610574
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 90610518
[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 90610538
N-[(2,4-difluorophenyl)methyl]-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610569
(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46392345
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 90609534
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 90610427

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (CID 90610546) is 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is COc1cc(NC(=O)C2CCCN(c3nc4c(F)cccc4s3)C2)cc(OC)c1OC.
What is the InChIKey of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is KWSVKPYZTLBNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-28-16-10-14(11-17(29-2)20(16)30-3)24-21(27)13-6-5-9-26(12-13)22-25-19-15(23)7-4-8-18(19)31-22/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3,(H,24,27).
What are the key properties of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 90610546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).