CC(C)(C)OC(=O)N1CCCCC1C(=O)C2=CC=C(O2)C3=CC=C(C=C3)F
Name: tert-butyl 2-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCCCC1C(=O)C2=CC=C(O2)C3=CC=C(C=C3)F

Molecular Processing

Molecular formula
C21H24FNO4
Molecular weight
373.42
Exact mass
373.1689
XLogP
5.06
TPSA
59.75
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
99.01

Supplementary Information

InChIKey: GSRNPYAUIUPYHI-UHFFFAOYSA-N
Synonyme
SCHEMBL1778310GSRNPYAUIUPYHI-UHFFFAOYSA-N(RS)-1-(tert-butyloxycarbonyl)-2-((5-(4-fluorophenyl)-furan-2-yl)carbonyl)piperidine(RS)-1-(tert-butyloxycarbonyl)-2-((5-(4fluorophenyl)-furan-2-yl)carbonyl)piperidine
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