N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide

C₂₁H₃₂N₂O₃ — CID 55949891

About N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55949891) has the molecular formula C₂₁H₃₂N₂O₃ and a molecular weight of 360.50 g/mol. Its IUPAC name is N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
• PubChem CID: 55949891
• Molecular Formula: C₂₁H₃₂N₂O₃
• Molecular Weight: 360.50 g/mol
• Exact Mass: 360.24
• IUPAC Name: N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
• SMILES: CCCCN(C)C(=O)C1CCN(C(=O)COc2ccc(CC)cc2)CC1
• InChI: InChI=1S/C21H32N2O3/c1-4-6-13-22(3)21(25)18-11-14-23(15-12-18)20(24)16-26-19-9-7-17(5-2)8-10-19/h7-10,18H,4-6,11-16H2,1-3H3
• InChIKey: AZPDJXFKMGEYTL-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.50
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide?

The IUPAC name of N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide (CID 55949891) is N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide?

The canonical SMILES for N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)COc2ccc(CC)cc2)CC1.

What is the InChIKey of N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide?

The InChIKey is AZPDJXFKMGEYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-6-13-22(3)21(25)18-11-14-23(15-12-18)20(24)16-26-19-9-7-17(5-2)8-10-19/h7-10,18H,4-6,11-16H2,1-3H3.

What are the key properties of N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide?

N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55949891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55949891 — identifiers, structure, computed properties (public domain)

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