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

C21H20FN3O2S — CID 90609556

IUPACN-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(c3nc4c(F)cccc4s3)CC2)cc1
InChIInChI=1S/C21H20FN3O2S/c1-13(26)14-5-7-16(8-6-14)23-20(27)15-9-11-25(12-10-15)21-24-19-17(22)3-2-4-18(19)28-21/h2-8,15H,9-12H2,1H3,(H,23,27)
InChIKeyRZKWFIJDZPZZTP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.49
Rot. Bonds4

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

N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 90609556) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID90609556
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(c3nc4c(F)cccc4s3)CC2)cc1
InChIInChI=1S/C21H20FN3O2S/c1-13(26)14-5-7-16(8-6-14)23-20(27)15-9-11-25(12-10-15)21-24-19-17(22)3-2-4-18(19)28-21/h2-8,15H,9-12H2,1H3,(H,23,27)
InChIKeyRZKWFIJDZPZZTP-UHFFFAOYSA-N
XLogP4.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
N-(4-ethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609531
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 90609534
N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609574
N-cyclopentyl-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609496
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90609540
1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 90609454
N-(2-ethoxyphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609549
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(4-methylsulfonylphenyl)azetidine-3-carboxamide
CID 52908068
N-(cyclohexylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609612
N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610574
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 90609556) is N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is CC(=O)c1ccc(NC(=O)C2CCN(c3nc4c(F)cccc4s3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is RZKWFIJDZPZZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-13(26)14-5-7-16(8-6-14)23-20(27)15-9-11-25(12-10-15)21-24-19-17(22)3-2-4-18(19)28-21/h2-8,15H,9-12H2,1H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90609556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).