Name: methyl 2-[(3R,4S)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-6-methylpyridine-4-carboxylate
SMILES:
CC1=CC(=CC(=N1)N2CCC(C(C2)OC)NC(=O)OCC3=CC=CC=C3)C(=O)OCMolecular Processing
Molecular formula
C22H27N3O5
Molecular weight
413.47
Exact mass
413.1951
XLogP
2.7
TPSA
89.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
111.49
Supplementary Information
InChIKey: FFOFLKUJWYWCFI-RBUKOAKNSA-N
Synonyms
FFOFLKUJWYWCFI-RBUKOAKNSA-NMethyl cis(+/-)-2-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-6-methylpyridine-4-carboxylate
Involved in 2 reactions→