N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C23H24N4O3S — CID 55628957

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)sc2c1
InChIInChI=1S/C23H24N4O3S/c1-15(28)24-18-9-10-19-20(13-18)31-23(25-19)26-22(30)17-8-5-11-27(14-17)21(29)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,24,28)(H,25,26,30)
InChIKeyJXPQWLRWLIRBIN-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.67
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55628957) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55628957
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)sc2c1
InChIInChI=1S/C23H24N4O3S/c1-15(28)24-18-9-10-19-20(13-18)31-23(25-19)26-22(30)17-8-5-11-27(14-17)21(29)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,24,28)(H,25,26,30)
InChIKeyJXPQWLRWLIRBIN-UHFFFAOYSA-N
XLogP3.67
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55606343
3-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 17488727
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55857604
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60521447
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55628957) is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is JXPQWLRWLIRBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15(28)24-18-9-10-19-20(13-18)31-23(25-19)26-22(30)17-8-5-11-27(14-17)21(29)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,24,28)(H,25,26,30).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55628957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).