4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide

C₃₂H₃₄N₄O₃ — CID 169271309

About 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide

4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide (PubChem CID 169271309) has the molecular formula C₃₂H₃₄N₄O₃ and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide.

Molecular Properties

• Compound Name: 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
• PubChem CID: 169271309
• Molecular Formula: C₃₂H₃₄N₄O₃
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.26
• IUPAC Name: 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
• SMILES: CCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(OCC)c4)c4ccccc34)CC2)cc1
• InChI: InChI=1S/C32H34N4O3/c1-3-15-34-31(37)23-9-11-25(12-10-23)35-16-18-36(19-17-35)32(38)30-14-13-27(28-7-5-6-8-29(28)30)24-20-26(39-4-2)22-33-21-24/h5-14,20-22H,3-4,15-19H2,1-2H3,(H,34,37)
• InChIKey: BIEDLYHPJFEPQB-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide?

The IUPAC name of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide (CID 169271309) is 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide.

What is the SMILES notation for 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide?

The canonical SMILES for 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(OCC)c4)c4ccccc34)CC2)cc1.

What is the InChIKey of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide?

The InChIKey is BIEDLYHPJFEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-3-15-34-31(37)23-9-11-25(12-10-23)35-16-18-36(19-17-35)32(38)30-14-13-27(28-7-5-6-8-29(28)30)24-20-26(39-4-2)22-33-21-24/h5-14,20-22H,3-4,15-19H2,1-2H3,(H,34,37).

What are the key properties of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide?

4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide has a molecular weight of 522.65 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide is sourced from PubChem (CID 169271309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169271309 — identifiers, structure, computed properties (public domain)

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