4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H36N4O — CID 70731372

About 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70731372) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

• Compound Name: 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
• PubChem CID: 70731372
• Molecular Formula: C20H36N4O
• Molecular Weight: 348.54 g/mol
• Exact Mass: 348.29
• IUPAC Name: 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
• SMILES: C=CCN1CCC2(CCC1=O)CN(C1CCN(CC)CC1)CCN2C
• InChI: InChI=1S/C20H36N4O/c1-4-11-23-14-10-20(9-6-19(23)25)17-24(16-15-21(20)3)18-7-12-22(5-2)13-8-18/h4,18H,1,5-17H2,2-3H3
• InChIKey: HBLCDBAKKRPVMC-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 30.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.54
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?

The IUPAC name of 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70731372) is 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?

The canonical SMILES for 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is C=CCN1CCC2(CCC1=O)CN(C1CCN(CC)CC1)CCN2C.

What is the InChIKey of 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?

The InChIKey is HBLCDBAKKRPVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-4-11-23-14-10-20(9-6-19(23)25)17-24(16-15-21(20)3)18-7-12-22(5-2)13-8-18/h4,18H,1,5-17H2,2-3H3.

What are the key properties of 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?

4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 348.54 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70731372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).