1-[(2-Phenylethyl)carbamothioyl]piperidine-4-carboxamide
Basic information
- CAS
5840-97-1- Standard SMILES
NC(=O)C1CCN(C(=S)NCCc2ccccc2)CC1- InChIKey
BCUISXZEVLBADG-UHFFFAOYSA-N- Molecular formula
- C15H21N3OS
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.14053348
Names & identifiers
- Preferred name
- 1-[(2-Phenylethyl)carbamothioyl]piperidine-4-carboxamide
- IUPAC
- 1-(2-phenylethylcarbamothioyl)piperidine-4-carboxamide
Names & synonyms
ZINC135442855840-97-1MLS0006875031-[(2-phenylethyl)carbamothioyl]piperidine-4-carboxamideCHEMBL1469230DTXSID50973957HMS1678K20HMS2724H22MFCD03170592STK073414AKOS000627509S=C(N1CCC(CC1)C(=O)N)NCCc1ccccc1
Show more names
SMR000283515ZINC000013544285C1CN(CCC1C(=O)N)C(=S)NCCC2=CC=CC=C21(2phenylethylcarbamothioyl)piperidine4carboxamide1(PHENETHYLCARBAMOTHIOYL)PIPERIDINE4CARBOXAMIDE1-(2-phenylethylcarbamothioyl)piperidine-4-carboxamide1((2PHENYLETHYL)CARBAMOTHIOYL)PIPERIDINE4CARBOXAMIDE1PHENETHYLTHIOCARBAMOYLPIPERIDINE4CARBOXYLICACIDAMIDE
Database identifiers
- CAS
5840-97-1- PubChem CID
- 795651
- DTXSID
DTXSID50973957- ChEMBL
CHEMBL1469230
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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