6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H22FN3O — CID 83245466

IUPAC6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN(C)CCCN1C(=O)C2(CC2)NC1c1ccccc1F
InChIInChI=1S/C16H22FN3O/c1-19(2)10-5-11-20-14(12-6-3-4-7-13(12)17)18-16(8-9-16)15(20)21/h3-4,6-7,14,18H,5,8-11H2,1-2H3
InChIKeyLUHHYZGALYWYDI-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.74
Rot. Bonds5

About 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245466) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245466
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN(C)CCCN1C(=O)C2(CC2)NC1c1ccccc1F
InChIInChI=1S/C16H22FN3O/c1-19(2)10-5-11-20-14(12-6-3-4-7-13(12)17)18-16(8-9-16)15(20)21/h3-4,6-7,14,18H,5,8-11H2,1-2H3
InChIKeyLUHHYZGALYWYDI-UHFFFAOYSA-N
XLogP1.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242531
6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248007
3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245439
6-(2-cyclopropylethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268642
5-(3,4-difluorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246226
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83225076
6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248015
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
6-butyl-5-(3-fluoro-4-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237728
6-(2-ethoxyethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237372
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
3-[4-(dimethylamino)butyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83247462

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83245466) is 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is CN(C)CCCN1C(=O)C2(CC2)NC1c1ccccc1F.
What is the InChIKey of 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is LUHHYZGALYWYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-19(2)10-5-11-20-14(12-6-3-4-7-13(12)17)18-16(8-9-16)15(20)21/h3-4,6-7,14,18H,5,8-11H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 291.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).