2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one

C23H26ClF3N2O2 — CID 156864623

IUPAC2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CC(C(=O)N3CCC4(CC3)CC(c3ccc(C(F)(F)F)c(Cl)c3)C4)C2)N1
InChIInChI=1S/C23H26ClF3N2O2/c24-18-9-14(1-2-17(18)23(25,26)27)15-10-21(11-15)5-7-29(8-6-21)20(31)16-12-22(13-16)4-3-19(30)28-22/h1-2,9,15-16H,3-8,10-13H2,(H,28,30)
InChIKeyOOBTXRHRKRGOJW-UHFFFAOYSA-N
MW454.92 g/mol
LogP4.90
Rot. Bonds2

About 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one

2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one (PubChem CID 156864623) has the molecular formula C23H26ClF3N2O2 and a molecular weight of 454.92 g/mol. Its IUPAC name is 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one
PubChem CID156864623
Molecular FormulaC23H26ClF3N2O2
Molecular Weight454.92 g/mol
Exact Mass454.16
IUPAC Name2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CC(C(=O)N3CCC4(CC3)CC(c3ccc(C(F)(F)F)c(Cl)c3)C4)C2)N1
InChIInChI=1S/C23H26ClF3N2O2/c24-18-9-14(1-2-17(18)23(25,26)27)15-10-21(11-15)5-7-29(8-6-21)20(31)16-12-22(13-16)4-3-19(30)28-22/h1-2,9,15-16H,3-8,10-13H2,(H,28,30)
InChIKeyOOBTXRHRKRGOJW-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one with MolForge

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Related Compounds

US11787798, Example 125
CID 156864344
US11505546, Example 18
CID 163880788
2-(2-Chlorophenyl)-2-(2-piperidin-1-ylethyl)-4-[propan-2-yl-(2,2,2-trifluoroacetyl)amino]butanamide
CID 15035420
US11708359, Example 68
CID 158169346
US11787798, Example 73
CID 159576597
1-((4-(3-Chlorophenyl)-4-piperidyl)carbonyl)pyrrolidine
CID 98057
[3-[3-Chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-3-fluorocyclobutyl]-piperidin-1-ylmethanone
CID 16119041
3-[[2,6-Dichloro-4-(4-fluorophenyl)phenyl]methyl]-1-piperidin-4-ylpyrrolidin-2-one
CID 24852236
4-[(3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxamide
CID 57647090
3-[[2-Chloro-4-(trifluoromethyl)phenyl]methyl]-1-piperidin-1-ylpyrrolidin-2-one
CID 57921501
3-[[2-Chloro-4-(trifluoromethyl)phenyl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 57921573
3-[[2-Chloro-4-(trifluoromethyl)phenyl]methyl]-1-(4-oxocyclohexyl)pyrrolidin-2-one
CID 57921640

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one (CID 156864623) is 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one is O=C1CCC2(CC(C(=O)N3CCC4(CC3)CC(c3ccc(C(F)(F)F)c(Cl)c3)C4)C2)N1.
What is the InChIKey of 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one?
The InChIKey is OOBTXRHRKRGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N2O2/c24-18-9-14(1-2-17(18)23(25,26)27)15-10-21(11-15)5-7-29(8-6-21)20(31)16-12-22(13-16)4-3-19(30)28-22/h1-2,9,15-16H,3-8,10-13H2,(H,28,30).
What are the key properties of 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one?
2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one has a molecular weight of 454.92 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156864623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).