2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one

C22H26FN3O2 — CID 137407670

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCOc1ccc(CN2CC3(CC(c4cccc(F)c4)(N(C)C)C3)NC2=O)cc1
InChIInChI=1S/C22H26FN3O2/c1-25(2)22(17-5-4-6-18(23)11-17)13-21(14-22)15-26(20(27)24-21)12-16-7-9-19(28-3)10-8-16/h4-11H,12-15H2,1-3H3,(H,24,27)
InChIKeyILUFVMLVIRINEI-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.35
Rot. Bonds5

About 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one

2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407670) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407670
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCOc1ccc(CN2CC3(CC(c4cccc(F)c4)(N(C)C)C3)NC2=O)cc1
InChIInChI=1S/C22H26FN3O2/c1-25(2)22(17-5-4-6-18(23)11-17)13-21(14-22)15-26(20(27)24-21)12-16-7-9-19(28-3)10-8-16/h4-11H,12-15H2,1-3H3,(H,24,27)
InChIKeyILUFVMLVIRINEI-UHFFFAOYSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130200930
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130200574
3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
CID 155655261
2-[2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide
CID 137407639
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202413
8-(dimethylamino)-1-(3-hydroxy-3-methylbutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202404
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202429
3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
CID 172991650
8-(dimethylamino)-1-(3-hydroxypropyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202565
tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate
CID 155223427
(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 98176099
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one (CID 137407670) is 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one is COc1ccc(CN2CC3(CC(c4cccc(F)c4)(N(C)C)C3)NC2=O)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is ILUFVMLVIRINEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-25(2)22(17-5-4-6-18(23)11-17)13-21(14-22)15-26(20(27)24-21)12-16-7-9-19(28-3)10-8-16/h4-11H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?
2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 383.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).