2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide

C37H39N3O2 — CID 22048594

About 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide

2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 22048594) has the molecular formula C37H39N3O2 and a molecular weight of 557.74 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide
• PubChem CID: 22048594
• Molecular Formula: C37H39N3O2
• Molecular Weight: 557.74 g/mol
• Exact Mass: 557.30
• IUPAC Name: 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide
• SMILES: CC(C)C(=O)Nc1cccc(C2CCN(Cc3cn(-c4ccccc4)c4cc(OCc5ccccc5)ccc34)CC2)c1
• InChI: InChI=1S/C37H39N3O2/c1-27(2)37(41)38-32-13-9-12-30(22-32)29-18-20-39(21-19-29)24-31-25-40(33-14-7-4-8-15-33)36-23-34(16-17-35(31)36)42-26-28-10-5-3-6-11-28/h3-17,22-23,25,27,29H,18-21,24,26H2,1-2H3,(H,38,41)
• InChIKey: YRZKNJNOLYWVOM-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.74
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide?

The IUPAC name of 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide (CID 22048594) is 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide.

What is the SMILES notation for 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide?

The canonical SMILES for 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide is CC(C)C(=O)Nc1cccc(C2CCN(Cc3cn(-c4ccccc4)c4cc(OCc5ccccc5)ccc34)CC2)c1.

What is the InChIKey of 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide?

The InChIKey is YRZKNJNOLYWVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N3O2/c1-27(2)37(41)38-32-13-9-12-30(22-32)29-18-20-39(21-19-29)24-31-25-40(33-14-7-4-8-15-33)36-23-34(16-17-35(31)36)42-26-28-10-5-3-6-11-28/h3-17,22-23,25,27,29H,18-21,24,26H2,1-2H3,(H,38,41).

What are the key properties of 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide?

2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 557.74 g/mol, XLogP of 8.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 22048594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).