4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)

C38H39F6N3O7 — CID 45488408

About 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)

4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 45488408) has the molecular formula C38H39F6N3O7 and a molecular weight of 763.73 g/mol. Its IUPAC name is 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 45488408
• Molecular Formula: C38H39F6N3O7
• Molecular Weight: 763.73 g/mol
• Exact Mass: 763.27
• IUPAC Name: 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1cc(C(=O)NCCc2ccccn2)ccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C34H37N3O3.2C2HF3O2/c1-39-33-24-28(34(38)36-21-17-29-14-8-9-20-35-29)15-16-32(33)40-30-18-22-37(23-19-30)25-31(26-10-4-2-5-11-26)27-12-6-3-7-13-27;2*3-2(4,5)1(6)7/h2-16,20,24,30-31H,17-19,21-23,25H2,1H3,(H,36,38);2*(H,6,7)
• InChIKey: KMWMWEUETARHTM-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 138.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.73
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid) (CID 45488408) is 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid) is COc1cc(C(=O)NCCc2ccccn2)ccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is KMWMWEUETARHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3.2C2HF3O2/c1-39-33-24-28(34(38)36-21-17-29-14-8-9-20-35-29)15-16-32(33)40-30-18-22-37(23-19-30)25-31(26-10-4-2-5-11-26)27-12-6-3-7-13-27;2*3-2(4,5)1(6)7/h2-16,20,24,30-31H,17-19,21-23,25H2,1H3,(H,36,38);2*(H,6,7).

What are the key properties of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)?

4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 763.73 g/mol, XLogP of 7.00, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 45488408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).