tert-Butyl cis(+/-)-4-{[(5-ethyl-4-trifluoromethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidine-1-carboxylate

HCID 86648488
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Basic information

Standard SMILES
CCc1[nH]c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)nc1C(F)(F)F
InChIKey
CRSXLYJQAKFMBE-NWDGAFQWSA-N
Molecular formula
C18H27F3N4O4
Average molar mass
420.4 g/mol

Names & identifiers

Preferred name
tert-Butyl cis(+/-)-4-{[(5-ethyl-4-trifluoromethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidine-1-carboxylate
IUPAC
tert-butyl (3R,4S)-4-[[5-ethyl-4-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]-3-methoxypiperidine-1-carboxylate

Names & synonyms

CRSXLYJQAKFMBE-NWDGAFQWSA-Ntert-Butyl cis(+/-)-4-{[(5-ethyl-4-trifluoromethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidine-1-carboxylate

Database identifiers

PubChem CID
86648488

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
96.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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