4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C16H20N4OS — CID 46992089

IUPAC4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-12-17-15(22-19-12)18-16(21)20-9-7-14(8-10-20)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,17,18,19,21)
InChIKeyFKKZAEKVKPGSRM-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.33
Rot. Bonds3

About 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46992089) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46992089
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-12-17-15(22-19-12)18-16(21)20-9-7-14(8-10-20)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,17,18,19,21)
InChIKeyFKKZAEKVKPGSRM-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991492
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46999278
1-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122086950
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46992089) is 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is FKKZAEKVKPGSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-17-15(22-19-12)18-16(21)20-9-7-14(8-10-20)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,17,18,19,21).
What are the key properties of 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46992089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).