(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide

C₂₂H₂₉N₃O — CID 39911400

About (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide

(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide (PubChem CID 39911400) has the molecular formula C₂₂H₂₉N₃O and a molecular weight of 351.49 g/mol. Its IUPAC name is (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide.

Molecular Properties

• Compound Name: (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
• PubChem CID: 39911400
• Molecular Formula: C₂₂H₂₉N₃O
• Molecular Weight: 351.49 g/mol
• Exact Mass: 351.23
• IUPAC Name: (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
• SMILES: CCC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1
• InChI: InChI=1S/C22H29N3O/c1-3-7-21(18-8-5-4-6-9-18)22(26)23-19-10-12-20(13-11-19)25-16-14-24(2)15-17-25/h4-6,8-13,21H,3,7,14-17H2,1-2H3,(H,23,26)/t21-/m1/s1
• InChIKey: OMANHZMSJFZUEK-OAQYLSRUSA-N
• XLogP: 3.96
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.49
LogP ≤ 5	3.96
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 (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide?

The IUPAC name of (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide (CID 39911400) is (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide.

What is the SMILES notation for (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide?

The canonical SMILES for (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide is CCC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1.

What is the InChIKey of (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide?

The InChIKey is OMANHZMSJFZUEK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-7-21(18-8-5-4-6-9-18)22(26)23-19-10-12-20(13-11-19)25-16-14-24(2)15-17-25/h4-6,8-13,21H,3,7,14-17H2,1-2H3,(H,23,26)/t21-/m1/s1.

What are the key properties of (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide?

(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide has a molecular weight of 351.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide is sourced from PubChem (CID 39911400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 39911400 — identifiers, structure, computed properties (public domain)

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