N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C₂₀H₂₇N₅O — CID 119527517

About N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 119527517) has the molecular formula C₂₀H₂₇N₅O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
• PubChem CID: 119527517
• Molecular Formula: C₂₀H₂₇N₅O
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.22
• IUPAC Name: N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
• SMILES: NC(CNC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1
• InChI: InChI=1S/C20H27N5O/c21-18(17-6-2-1-3-7-17)16-23-20(26)9-11-24-12-14-25(15-13-24)19-8-4-5-10-22-19/h1-8,10,18H,9,11-16,21H2,(H,23,26)
• InChIKey: BPUUCNXPVSELQR-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 74.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?

The IUPAC name of N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 119527517) is N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?

The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is NC(CNC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1.

What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?

The InChIKey is BPUUCNXPVSELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c21-18(17-6-2-1-3-7-17)16-23-20(26)9-11-24-12-14-25(15-13-24)19-8-4-5-10-22-19/h1-8,10,18H,9,11-16,21H2,(H,23,26).

What are the key properties of N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?

N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 119527517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119527517 — identifiers, structure, computed properties (public domain)

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