(2R,4R)-2-methylpiperidine-4-carboxamide
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Basic information
- CAS
780732-78-7- Standard SMILES
C[C@@H]1C[C@H](C(N)=O)CCN1- InChIKey
QOVZBLCPIDQXAZ-PHDIDXHHSA-N- Molecular formula
- C7H14N2O
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.11061307
Names & identifiers
- Preferred name
- (2R,4R)-2-methylpiperidine-4-carboxamide
- IUPAC
- (2R,4R)-2-methylpiperidine-4-carboxamide
- English name
- 4-Piperidinecarboxamide,2-methyl-,cis-(9CI)
- Molecular formula
- C7H14N2O
- Molecular weight
- 142.2
Names & synonyms
4-Piperidinecarboxamide,2-methyl-,cis-(9CI)4-Piperidinecarboxamide, 2-methyl-, (2R,4R)-rel-
Database identifiers
- CAS
780732-78-7- PubChem CID
- 45084161
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 308.143 · 308.143±31.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.009 · 1.009±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 16.481 · 16.481±0.40(predicted)
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Compound notes
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