1-[[1-[5-Hydroxy-2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrrolidinone

HCID 19903216

Notes Reactions

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Basic information

CAS: 139726-91-3
Standard SMILES: O=C1CCCN1CC1CCN(c2nc(C(F)(F)F)ncc2O)CC1
InChIKey: QKJSDNVTHYWHHP-UHFFFAOYSA-N
Molecular formula: C15H19F3N4O2
Average molar mass: 344.33 g/mol
Monoisotopic mass: 344.14601035

Names & identifiers

Preferred name: 1-[[1-[5-Hydroxy-2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrrolidinone
IUPAC: 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one

Names & synonyms

1-[[1-[5-hydroxy-2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrrolidinoneDTXSID801123049139726-91-31-({1-[5-Hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}methyl)pyrrolidin-2-one

Database identifiers

CAS: 139726-91-3
PubChem CID: 19903216
DTXSID: DTXSID801123049

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 69.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 454

Related reactions

2 records

New reaction record

HRID 1206157As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2372323As productuspto-grants-1992_03

Compound notes

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