N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C19H34N6O2 — CID 46990956

About N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 46990956) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

• Compound Name: N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
• PubChem CID: 46990956
• Molecular Formula: C19H34N6O2
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.27
• IUPAC Name: N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
• SMILES: CCCCCCNC(=O)N1CCC2(CC1)N=C(N1CCN(C)CC1)NC2=O
• InChI: InChI=1S/C19H34N6O2/c1-3-4-5-6-9-20-18(27)25-10-7-19(8-11-25)16(26)21-17(22-19)24-14-12-23(2)13-15-24/h3-15H2,1-2H3,(H,20,27)(H,21,22,26)
• InChIKey: MVWUIBGKYHUIRC-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 80.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
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-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?

The IUPAC name of N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 46990956) is N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

What is the SMILES notation for N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?

The canonical SMILES for N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCCCCCNC(=O)N1CCC2(CC1)N=C(N1CCN(C)CC1)NC2=O.

What is the InChIKey of N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?

The InChIKey is MVWUIBGKYHUIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-3-4-5-6-9-20-18(27)25-10-7-19(8-11-25)16(26)21-17(22-19)24-14-12-23(2)13-15-24/h3-15H2,1-2H3,(H,20,27)(H,21,22,26).

What are the key properties of N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?

N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hexyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 46990956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).