7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one

C21H27F3N2O — CID 24759529

IUPAC7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12CCCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H27F3N2O/c22-21(23,24)17-9-7-16(8-10-17)15-25-13-4-11-20(25)12-14-26(19(20)27)18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2
InChIKeyYLKOVYVMIDSZKK-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.61
Rot. Bonds3

About 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one

7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24759529) has the molecular formula C21H27F3N2O and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24759529
Molecular FormulaC21H27F3N2O
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Name7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12CCCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H27F3N2O/c22-21(23,24)17-9-7-16(8-10-17)15-25-13-4-11-20(25)12-14-26(19(20)27)18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2
InChIKeyYLKOVYVMIDSZKK-UHFFFAOYSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-2-carboxamide
CID 10114895
4-[(7-Cyclohexyl-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl)methyl]benzonitrile
CID 24758865
1-[(4-Chlorophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
CID 24758866
1-cyclohexyl-N-(4-fluorobenzyl)-5-oxoprolinamide
CID 3238333
((3R,4R)-1-(3,4-difluorobenzyl)-4-aminopyrrolidin-3-yl)(pyrrolidin-1-yl)methanone
CID 44443336
(3S,5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-fluoro-1,7-diazaspiro[4.4]nonan-6-one
CID 168284089
7-Cyclohexyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 168290013
7-Cyclohexyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 168292992
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 4062301
(2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 67464114
(2S,4R)-4-fluoro-1-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139033

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 24759529) is 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCCCC2)CCC12CCCN2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is YLKOVYVMIDSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O/c22-21(23,24)17-9-7-16(8-10-17)15-25-13-4-11-20(25)12-14-26(19(20)27)18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2.
What are the key properties of 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one?
7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 380.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24759529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).