(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide

C₁₈H₁₈N₄O₂ — CID 108842816

About (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide

(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide (PubChem CID 108842816) has the molecular formula C₁₈H₁₈N₄O₂ and a molecular weight of 322.37 g/mol. Its IUPAC name is (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide
• PubChem CID: 108842816
• Molecular Formula: C₁₈H₁₈N₄O₂
• Molecular Weight: 322.37 g/mol
• Exact Mass: 322.14
• IUPAC Name: (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide
• SMILES: N#C/C(=C/N1CCNCC1)C(=O)Nc1cccc2c(O)cccc12
• InChI: InChI=1S/C18H18N4O2/c19-11-13(12-22-9-7-20-8-10-22)18(24)21-16-5-1-4-15-14(16)3-2-6-17(15)23/h1-6,12,20,23H,7-10H2,(H,21,24)/b13-12-
• InChIKey: MIKWUGPBPAHJPB-SEYXRHQNSA-N
• XLogP: 1.80
• TPSA: 88.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.37
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide?

The IUPAC name of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide (CID 108842816) is (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide.

What is the SMILES notation for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide?

The canonical SMILES for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide is N#C/C(=C/N1CCNCC1)C(=O)Nc1cccc2c(O)cccc12.

What is the InChIKey of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide?

The InChIKey is MIKWUGPBPAHJPB-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-11-13(12-22-9-7-20-8-10-22)18(24)21-16-5-1-4-15-14(16)3-2-6-17(15)23/h1-6,12,20,23H,7-10H2,(H,21,24)/b13-12-.

What are the key properties of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide?

(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide has a molecular weight of 322.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide is sourced from PubChem (CID 108842816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 108842816 — identifiers, structure, computed properties (public domain)

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