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N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide

Formula: C24H31FN2O3

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

IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide

InChI: InChI=1/C24H31FN2O3/c1-26(13-11-18-9-10-22(29-2)23(15-18)30-3)24(28)20-7-5-12-27(17-20)16-19-6-4-8-21(25)14-19/h4,6,8-10,14-15,20H,5,7,11-13,16-17H2,1-3H3

Composition: C (69.54%), H (7.54%), F (4.58%), N (6.76%), O (11.58%)

Molar Mass: 414.521

Atom Count: 61

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 414.231871029
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey KRUXPENPUGDVMQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.95
Topological Polar Surface Area 42.01
Polarizability 45.03
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H31FN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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