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

C20H21N3OS — CID 90609323

IUPAC1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C20H21N3OS/c1-14-6-8-16(9-7-14)21-19(24)15-10-12-23(13-11-15)20-22-17-4-2-3-5-18(17)25-20/h2-9,15H,10-13H2,1H3,(H,21,24)
InChIKeyBVYCIMCDGKCAAP-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.46
Rot. Bonds3

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

1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 90609323) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID90609323
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C20H21N3OS/c1-14-6-8-16(9-7-14)21-19(24)15-10-12-23(13-11-15)20-22-17-4-2-3-5-18(17)25-20/h2-9,15H,10-13H2,1H3,(H,21,24)
InChIKeyBVYCIMCDGKCAAP-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 90609326
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 90609420
1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 34043894
butyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609345
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 32680776
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
N-(3-chloro-4-methoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611359
1-(1,3-benzothiazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 90609916

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide (CID 90609323) is 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is BVYCIMCDGKCAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-6-8-16(9-7-14)21-19(24)15-10-12-23(13-11-15)20-22-17-4-2-3-5-18(17)25-20/h2-9,15H,10-13H2,1H3,(H,21,24).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 90609323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).