N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide

C21H41N3O3 — CID 134582620

About N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide

N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide (PubChem CID 134582620) has the molecular formula C21H41N3O3 and a molecular weight of 383.58 g/mol. Its IUPAC name is N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide
• PubChem CID: 134582620
• Molecular Formula: C21H41N3O3
• Molecular Weight: 383.58 g/mol
• Exact Mass: 383.31
• IUPAC Name: N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide
• SMILES: CNC(=O)COCCOCCCCCN1CCC(N2CCC(C)CC2)CC1
• InChI: InChI=1S/C21H41N3O3/c1-19-6-13-24(14-7-19)20-8-11-23(12-9-20)10-4-3-5-15-26-16-17-27-18-21(25)22-2/h19-20H,3-18H2,1-2H3,(H,22,25)
• InChIKey: ZGVBZBDNZMJDMX-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.58
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide?

The IUPAC name of N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide (CID 134582620) is N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide.

What is the SMILES notation for N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide?

The canonical SMILES for N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide is CNC(=O)COCCOCCCCCN1CCC(N2CCC(C)CC2)CC1.

What is the InChIKey of N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide?

The InChIKey is ZGVBZBDNZMJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O3/c1-19-6-13-24(14-7-19)20-8-11-23(12-9-20)10-4-3-5-15-26-16-17-27-18-21(25)22-2/h19-20H,3-18H2,1-2H3,(H,22,25).

What are the key properties of N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide?

N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide has a molecular weight of 383.58 g/mol, XLogP of 2.13, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide is sourced from PubChem (CID 134582620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).