8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C22H26FN3O — CID 130200962

IUPAC8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1F)C(=O)N2
InChIInChI=1S/C22H26FN3O/c1-25(2)22(17-8-4-3-5-9-17)14-12-21(13-15-22)16-26(20(27)24-21)19-11-7-6-10-18(19)23/h3-11H,12-16H2,1-2H3,(H,24,27)
InChIKeyJMKQPUPGOLWPEH-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.13
Rot. Bonds3

About 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200962) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200962
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1F)C(=O)N2
InChIInChI=1S/C22H26FN3O/c1-25(2)22(17-8-4-3-5-9-17)14-12-21(13-15-22)16-26(20(27)24-21)19-11-7-6-10-18(19)23/h3-11H,12-16H2,1-2H3,(H,24,27)
InChIKeyJMKQPUPGOLWPEH-UHFFFAOYSA-N
XLogP4.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200962) is 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1F)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JMKQPUPGOLWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-25(2)22(17-8-4-3-5-9-17)14-12-21(13-15-22)16-26(20(27)24-21)19-11-7-6-10-18(19)23/h3-11H,12-16H2,1-2H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 367.47 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).