4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile

C23H24F2N4O — CID 130201324

IUPAC4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C#N)cc1F)C(=O)N2
InChIInChI=1S/C23H24F2N4O/c1-28(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)15-29(21(30)27-22)20-18(24)12-16(14-26)13-19(20)25/h3-7,12-13H,8-11,15H2,1-2H3,(H,27,30)
InChIKeyGGJKOEXVYUYJGW-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.14
Rot. Bonds3

About 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile

4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile (PubChem CID 130201324) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile
PubChem CID130201324
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C#N)cc1F)C(=O)N2
InChIInChI=1S/C23H24F2N4O/c1-28(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)15-29(21(30)27-22)20-18(24)12-16(14-26)13-19(20)25/h3-7,12-13H,8-11,15H2,1-2H3,(H,27,30)
InChIKeyGGJKOEXVYUYJGW-UHFFFAOYSA-N
XLogP4.14
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 11178122
1-[2-[4-(3-Cyanophenyl)phenyl]-4-(dimethylamino)butyl]-3-(3,5-difluorophenyl)urea
CID 10114686
1-[2-[4-(3-Cyanophenyl)phenyl]-4-(dimethylamino)butyl]-3-(3,4-difluorophenyl)urea
CID 10204151
N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3412464
1-[2-[4-(3-Cyanophenyl)phenyl]-4-(dimethylamino)butyl]-3-(3-fluorophenyl)urea
CID 10113523
1-(3''-Cyano-biphenyl-4-yl)-1-(2-dimethylamino-ethyl)-3-(3-fluoro-4-trifluoromethyl-phenyl)-urea
CID 10140070
1-[2-[4-(3-Cyanophenyl)phenyl]-4-(dimethylamino)butyl]-3-(4-fluorophenyl)urea
CID 10159789
1-[4-(3-Cyanophenyl)phenyl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 11260997
1-[4-(3-Cyanophenyl)phenyl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 11752320
1-(4-Cyano-phenyl)-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393469
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
1-(3-Cyano-phenyl)-3-{3-[3-(4-fluoro-benzyl)-pyrrolidin-1-yl]-propyl}-urea
CID 44289762

Frequently Asked Questions

What is the IUPAC name of 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile?
The IUPAC name of 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile (CID 130201324) is 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile?
The canonical SMILES for 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C#N)cc1F)C(=O)N2.
What is the InChIKey of 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile?
The InChIKey is GGJKOEXVYUYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-28(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)15-29(21(30)27-22)20-18(24)12-16(14-26)13-19(20)25/h3-7,12-13H,8-11,15H2,1-2H3,(H,27,30).
What are the key properties of 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile?
4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile has a molecular weight of 410.47 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile is sourced from PubChem (CID 130201324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).