N-(4-methoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
Basic information
- CAS
399003-11-3- Standard SMILES
COc1ccc(NC(=S)N2CCCCC2c2cccnc2)cc1- InChIKey
JDYXFMUXYCXJMQ-UHFFFAOYSA-N- Molecular formula
- C18H21N3OS
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14053348
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
- IUPAC
- N-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamide
Names & synonyms
399003-11-3N-(4-methoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamideN-(4-methoxyphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamideOprea1_807016MLS000672067CHEMBL1586802DTXSID001333599HMS2757E20AKOS001489084AKOS021993302SMR000293499F0836-0044
Show more names
N-(4-methoxyphenyl)-2-(3-pyridinyl)-1-piperidinecarbothioamide
Database identifiers
- CAS
399003-11-3- PubChem CID
- 2949906
- DTXSID
DTXSID001333599- ChEMBL
CHEMBL1586802
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
Solubility49 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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