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1'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-[1,4'-bipiperidine]-3-carboxamide

1'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-[1,4'-bipiperidine]-3-carboxamide

Formula: C29H41N3O3

SMILES: COC1=CC=C(CCN(C)C(=O)C2CCCN(C2)C2CCN(CC3=CC=CC=C3)CC2)C=C1OC

IUPAC: 1'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-[1,4'-bipiperidine]-3-carboxamide

InChI: InChI=1/C29H41N3O3/c1-30(17-13-23-11-12-27(34-2)28(20-23)35-3)29(33)25-10-7-16-32(22-25)26-14-18-31(19-15-26)21-24-8-5-4-6-9-24/h4-6,8-9,11-12,20,25-26H,7,10,13-19,21-22H2,1-3H3

Composition: C (72.62%), H (8.62%), N (8.76%), O (10.01%)

Molar Mass: 479.665

Atom Count: 76

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 479.314792192
Formal Charge 0
FSP3 0.55
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey SWMIMTLHAASJIS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 142.19
Topological Polar Surface Area 45.25
Polarizability 55.4
Ring Count 4
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H41N3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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