(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium

C20H28FN4O3+ — CID 2470456

About (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium

(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 2470456) has the molecular formula C20H28FN4O3+ and a molecular weight of 391.47 g/mol. Its IUPAC name is (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
• PubChem CID: 2470456
• Molecular Formula: C20H28FN4O3+
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.21
• IUPAC Name: (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
• SMILES: CC[NH+](CC(=O)NCc1ccc(F)cc1)CN1C(=O)NC2(CCCCC2)C1=O
• InChI: InChI=1S/C20H27FN4O3/c1-2-24(13-17(26)22-12-15-6-8-16(21)9-7-15)14-25-18(27)20(23-19(25)28)10-4-3-5-11-20/h6-9H,2-5,10-14H2,1H3,(H,22,26)(H,23,28)/p+1
• InChIKey: RJMQZOATXOXLEK-UHFFFAOYSA-O
• XLogP: 0.56
• TPSA: 82.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?

The IUPAC name of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium (CID 2470456) is (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium.

What is the SMILES notation for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?

The canonical SMILES for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium is CC[NH+](CC(=O)NCc1ccc(F)cc1)CN1C(=O)NC2(CCCCC2)C1=O.

What is the InChIKey of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?

The InChIKey is RJMQZOATXOXLEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27FN4O3/c1-2-24(13-17(26)22-12-15-6-8-16(21)9-7-15)14-25-18(27)20(23-19(25)28)10-4-3-5-11-20/h6-9H,2-5,10-14H2,1H3,(H,22,26)(H,23,28)/p+1.

What are the key properties of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?

(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 391.47 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 2470456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).