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

C23H25FN4O — CID 130201385

IUPAC4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1F)C(=O)N2
InChIInChI=1S/C23H25FN4O/c1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)20-9-8-17(15-25)14-19(20)24/h3-9,14H,10-13,16H2,1-2H3,(H,26,29)
InChIKeyJRHMRLSDOLLTRV-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.00
Rot. Bonds3

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

4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile (PubChem CID 130201385) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile
PubChem CID130201385
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1F)C(=O)N2
InChIInChI=1S/C23H25FN4O/c1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)20-9-8-17(15-25)14-19(20)24/h3-9,14H,10-13,16H2,1-2H3,(H,26,29)
InChIKeyJRHMRLSDOLLTRV-UHFFFAOYSA-N
XLogP4.00
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile with MolForge

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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-benzyl-N-(2-cyanoethyl)-N'-(4-methylphenyl)urea
CID 2812361
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
3-(3-Chloro-4-fluoro-phenyl)-1-(3''-cyano-biphenyl-4-yl)-1-(2-dimethylamino-ethyl)-urea
CID 10203421
1-[2-(3''-Cyano-biphenyl-4-yl)-4-dimethylamino-butyl]-3-phenyl-urea
CID 10273126
1-[[4-[4-(3-Cyanophenyl)phenyl]-1-methylpiperidin-4-yl]methyl]-3-(3,4-difluorophenyl)urea
CID 10298251
1-[4-(3-Cyanophenyl)phenyl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 11260997

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-fluorobenzonitrile?
The IUPAC name of 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile (CID 130201385) is 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(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-fluorobenzonitrile?
The InChIKey is JRHMRLSDOLLTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)20-9-8-17(15-25)14-19(20)24/h3-9,14H,10-13,16H2,1-2H3,(H,26,29).
What are the key properties of 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile?
4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile has a molecular weight of 392.48 g/mol, XLogP of 4.00, 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-fluorobenzonitrile is sourced from PubChem (CID 130201385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).