N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide

C₂₅H₃₄N₄O₃ — CID 143531621

About N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide

N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide (PubChem CID 143531621) has the molecular formula C₂₅H₃₄N₄O₃ and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
• PubChem CID: 143531621
• Molecular Formula: C₂₅H₃₄N₄O₃
• Molecular Weight: 438.57 g/mol
• Exact Mass: 438.26
• IUPAC Name: N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
• SMILES: COc1cc(NC(=O)NCCCCN2CCCCC2)ccc1-c1cccc(NC(C)=O)c1
• InChI: InChI=1S/C25H34N4O3/c1-19(30)27-21-10-8-9-20(17-21)23-12-11-22(18-24(23)32-2)28-25(31)26-13-4-7-16-29-14-5-3-6-15-29/h8-12,17-18H,3-7,13-16H2,1-2H3,(H,27,30)(H2,26,28,31)
• InChIKey: PPWSBLOIYYQUQS-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.57
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?

The IUPAC name of N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide (CID 143531621) is N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide.

What is the SMILES notation for N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?

The canonical SMILES for N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide is COc1cc(NC(=O)NCCCCN2CCCCC2)ccc1-c1cccc(NC(C)=O)c1.

What is the InChIKey of N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?

The InChIKey is PPWSBLOIYYQUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-19(30)27-21-10-8-9-20(17-21)23-12-11-22(18-24(23)32-2)28-25(31)26-13-4-7-16-29-14-5-3-6-15-29/h8-12,17-18H,3-7,13-16H2,1-2H3,(H,27,30)(H2,26,28,31).

What are the key properties of N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide?

N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide is sourced from PubChem (CID 143531621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143531621 — identifiers, structure, computed properties (public domain)

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