2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one

C21H23FN4O3 — CID 91890989

IUPAC2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)N(c1cccc(F)c1)N2
InChIInChI=1S/C21H23FN4O3/c1-29-18-8-3-2-5-15(18)13-19(27)25-11-9-21(10-12-25)23-20(28)26(24-21)17-7-4-6-16(22)14-17/h2-8,14,24H,9-13H2,1H3,(H,23,28)
InChIKeyRUGYRKZTKASCAS-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.43
Rot. Bonds4

About 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one

2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one (PubChem CID 91890989) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one
PubChem CID91890989
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)N(c1cccc(F)c1)N2
InChIInChI=1S/C21H23FN4O3/c1-29-18-8-3-2-5-15(18)13-19(27)25-11-9-21(10-12-25)23-20(28)26(24-21)17-7-4-6-16(22)14-17/h2-8,14,24H,9-13H2,1H3,(H,23,28)
InChIKeyRUGYRKZTKASCAS-UHFFFAOYSA-N
XLogP2.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one (CID 91890989) is 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one is COc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)N(c1cccc(F)c1)N2.
What is the InChIKey of 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The InChIKey is RUGYRKZTKASCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-29-18-8-3-2-5-15(18)13-19(27)25-11-9-21(10-12-25)23-20(28)26(24-21)17-7-4-6-16(22)14-17/h2-8,14,24H,9-13H2,1H3,(H,23,28).
What are the key properties of 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one has a molecular weight of 398.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91890989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).