N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene

C39H49Cl2F3N2O6 — CID 143672263

About N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene

N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene (PubChem CID 143672263) has the molecular formula C39H49Cl2F3N2O6 and a molecular weight of 769.73 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene
• PubChem CID: 143672263
• Molecular Formula: C39H49Cl2F3N2O6
• Molecular Weight: 769.73 g/mol
• Exact Mass: 768.29
• IUPAC Name: N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene
• SMILES: COCCCc1cc(CN(C(=O)C2CCCNC2)C2CC2)cc(OCCOCC(F)(F)F)c1.Cc1cc(Cl)c(OCCOc2ccccc2)c(Cl)c1
• InChI: InChI=1S/C24H35F3N2O4.C15H14Cl2O2/c1-31-9-3-4-18-12-19(14-22(13-18)33-11-10-32-17-24(25,26)27)16-29(21-6-7-21)23(30)20-5-2-8-28-15-20;1-11-9-13(16)15(14(17)10-11)19-8-7-18-12-5-3-2-4-6-12/h12-14,20-21,28H,2-11,15-17H2,1H3;2-6,9-10H,7-8H2,1H3
• InChIKey: UPBGZGKLMNWXJS-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 78.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.73
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene?

The IUPAC name of N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene (CID 143672263) is N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene.

What is the SMILES notation for N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene?

The canonical SMILES for N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene is COCCCc1cc(CN(C(=O)C2CCCNC2)C2CC2)cc(OCCOCC(F)(F)F)c1.Cc1cc(Cl)c(OCCOc2ccccc2)c(Cl)c1.

What is the InChIKey of N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene?

The InChIKey is UPBGZGKLMNWXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3N2O4.C15H14Cl2O2/c1-31-9-3-4-18-12-19(14-22(13-18)33-11-10-32-17-24(25,26)27)16-29(21-6-7-21)23(30)20-5-2-8-28-15-20;1-11-9-13(16)15(14(17)10-11)19-8-7-18-12-5-3-2-4-6-12/h12-14,20-21,28H,2-11,15-17H2,1H3;2-6,9-10H,7-8H2,1H3.

What are the key properties of N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene?

N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene has a molecular weight of 769.73 g/mol, XLogP of 8.47, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene is sourced from PubChem (CID 143672263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).