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

C22H26FN3O — CID 130200974

IUPAC8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(F)c1)C(=O)N2
InChIInChI=1S/C22H26FN3O/c1-25(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-6-9-18(23)15-19/h3-10,15H,11-14,16H2,1-2H3,(H,24,27)
InChIKeyDXEAAPCJQTYPHB-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.13
Rot. Bonds3

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

8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200974) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200974
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(F)c1)C(=O)N2
InChIInChI=1S/C22H26FN3O/c1-25(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-6-9-18(23)15-19/h3-10,15H,11-14,16H2,1-2H3,(H,24,27)
InChIKeyDXEAAPCJQTYPHB-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-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200974) is 8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(F)c1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is DXEAAPCJQTYPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-25(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-6-9-18(23)15-19/h3-10,15H,11-14,16H2,1-2H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(3-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-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).