2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide

C₁₈H₂₇N₃O₂ — CID 772363

About 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide

2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 772363) has the molecular formula C₁₈H₂₇N₃O₂ and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
• PubChem CID: 772363
• Molecular Formula: C₁₈H₂₇N₃O₂
• Molecular Weight: 317.43 g/mol
• Exact Mass: 317.21
• IUPAC Name: 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
• SMILES: CC(C)C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1
• InChI: InChI=1S/C18H27N3O2/c1-13(2)17(22)19-15-5-7-16(8-6-15)20-9-11-21(12-10-20)18(23)14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22)
• InChIKey: JPTWFLUOGADLQV-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.43
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?

The IUPAC name of 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide (CID 772363) is 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide.

What is the SMILES notation for 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?

The canonical SMILES for 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1.

What is the InChIKey of 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?

The InChIKey is JPTWFLUOGADLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)17(22)19-15-5-7-16(8-6-15)20-9-11-21(12-10-20)18(23)14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22).

What are the key properties of 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?

2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 772363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 772363 — identifiers, structure, computed properties (public domain)

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