2-Pyrrolidinecarboxamide, 5-oxo-N-(4-(1-piperidinyl)-2-butynyl)-, (S)-
Basic information
- CAS
81638-99-5- Standard SMILES
O=C1CC[C@@H](C(=O)NCC#CCN2CCCCC2)N1- InChIKey
SDINBRLAAMDGOO-LBPRGKRZSA-N- Molecular formula
- C14H21N3O2
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.16337692
Names & identifiers
- Preferred name
- 2-Pyrrolidinecarboxamide, 5-oxo-N-(4-(1-piperidinyl)-2-butynyl)-, (S)-
- IUPAC
- (2S)-5-oxo-N-(4-piperidin-1-ylbut-2-ynyl)pyrrolidine-2-carboxamide
Names & synonyms
2-Pyrrolidinecarboxamide, 5-oxo-N-(4-(1-piperidinyl)-2-butynyl)-, (S)-81638-99-5(S)-5-Oxo-N-(4-(1-piperidinyl)-2-butynyl)-2-pyrrolidinecarboxamideRefChem:266736DTXSID9010021055-Hydroxy-N-[4-(piperidin-1-yl)but-2-yn-1-yl]-3,4-dihydro-2H-pyrrole-2-carboximidic acid(2S)-5-Hydroxy-N-[4-(piperidin-1-yl)but-2-yn-1-yl]-3,4-dihydro-2H-pyrrole-2-carboximidic acid
Database identifiers
- CAS
81638-99-5- PubChem CID
- 3067484
- DTXSID
DTXSID901002105
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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