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

C24H33F2N3O — CID 130210904

IUPAC8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(F)CC1)C(=O)N2CC1(F)CC1
InChIInChI=1S/C24H33F2N3O/c1-27(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-28(16-21(25)8-9-21)20(30)29(23)17-22(26)10-11-22/h3-7H,8-18H2,1-2H3
InChIKeyHRSSJWKTJYDQIN-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.50
Rot. Bonds6

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

8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130210904) has the molecular formula C24H33F2N3O and a molecular weight of 417.54 g/mol. Its IUPAC name is 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130210904
Molecular FormulaC24H33F2N3O
Molecular Weight417.54 g/mol
Exact Mass417.26
IUPAC Name8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(F)CC1)C(=O)N2CC1(F)CC1
InChIInChI=1S/C24H33F2N3O/c1-27(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-28(16-21(25)8-9-21)20(30)29(23)17-22(26)10-11-22/h3-7H,8-18H2,1-2H3
InChIKeyHRSSJWKTJYDQIN-UHFFFAOYSA-N
XLogP4.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130210904) is 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(F)CC1)C(=O)N2CC1(F)CC1.
What is the InChIKey of 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HRSSJWKTJYDQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O/c1-27(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-28(16-21(25)8-9-21)20(30)29(23)17-22(26)10-11-22/h3-7H,8-18H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 417.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1,3-bis[(1-fluorocyclopropyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130210904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).