3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide

C28H38N4O2 — CID 24589351

About 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide

3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 24589351) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
• PubChem CID: 24589351
• Molecular Formula: C28H38N4O2
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.30
• IUPAC Name: 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
• SMILES: CC1CC(C)CN(C(=O)CN2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)CC2)C1
• InChI: InChI=1S/C28H38N4O2/c1-22-18-23(2)20-32(19-22)28(34)21-31-16-14-30(15-17-31)13-12-27(33)29-26-11-7-6-10-25(26)24-8-4-3-5-9-24/h3-11,22-23H,12-21H2,1-2H3,(H,29,33)
• InChIKey: BIHXHCPTTDTBAH-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide?

The IUPAC name of 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide (CID 24589351) is 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide.

What is the SMILES notation for 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide?

The canonical SMILES for 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide is CC1CC(C)CN(C(=O)CN2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)CC2)C1.

What is the InChIKey of 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide?

The InChIKey is BIHXHCPTTDTBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-22-18-23(2)20-32(19-22)28(34)21-31-16-14-30(15-17-31)13-12-27(33)29-26-11-7-6-10-25(26)24-8-4-3-5-9-24/h3-11,22-23H,12-21H2,1-2H3,(H,29,33).

What are the key properties of 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide?

3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 462.64 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 24589351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).