CCOC(=O)C1=CC(=NC=C1C)N2CCC(C(C2)OC)NC(=O)OCC3=CC=CC=C3
الاسم: ethyl 2-[(3R,4S)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-5-methylpyridine-4-carboxylate
SMILES: CCOC(=O)C1=CC(=NC=C1C)N2CCC(C(C2)OC)NC(=O)OCC3=CC=CC=C3

Molecular Processing

Molecular formula
C23H29N3O5
Molecular weight
427.5
Exact mass
427.2107
XLogP
3.09
TPSA
89.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
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
0.435
Molar refractivity
116.11

Supplementary Information

InChIKey: RNMOXKFZZVFVSH-VQTJNVASSA-N
مرادفات
RNMOXKFZZVFVSH-VQTJNVASSA-Nethyl cis(+/-)-2-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)-5-methylpyridine-4-carboxylate
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