[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone

C23H27FN2O2 — CID 155999707

IUPAC[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCC23CN(c2cccc(F)c2)C(C)(C)C3)c1
InChIInChI=1S/C23H27FN2O2/c1-22(2)15-23(16-26(22)19-9-5-8-18(24)14-19)11-6-12-25(23)21(27)17-7-4-10-20(13-17)28-3/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3
InChIKeyJSYSSFPUYZHIGB-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.50
Rot. Bonds3

About [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone

[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 155999707) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone
PubChem CID155999707
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCC23CN(c2cccc(F)c2)C(C)(C)C3)c1
InChIInChI=1S/C23H27FN2O2/c1-22(2)15-23(16-26(22)19-9-5-8-18(24)14-19)11-6-12-25(23)21(27)17-7-4-10-20(13-17)28-3/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3
InChIKeyJSYSSFPUYZHIGB-UHFFFAOYSA-N
XLogP4.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone (CID 155999707) is [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCCC23CN(c2cccc(F)c2)C(C)(C)C3)c1.
What is the InChIKey of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is JSYSSFPUYZHIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-22(2)15-23(16-26(22)19-9-5-8-18(24)14-19)11-6-12-25(23)21(27)17-7-4-10-20(13-17)28-3/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3.
What are the key properties of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone?
[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 382.48 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 155999707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).