methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate

C23H23F3N2O3 — CID 15982658

IUPACmethyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21
InChIInChI=1S/C23H23F3N2O3/c1-31-20(29)15-28-19-8-3-2-7-18(19)22(21(28)30)9-11-27(12-10-22)14-16-5-4-6-17(13-16)23(24,25)26/h2-8,13H,9-12,14-15H2,1H3
InChIKeyGYQHSQVYENCZDE-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.76
Rot. Bonds4

About methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate

methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15982658) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15982658
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Namemethyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21
InChIInChI=1S/C23H23F3N2O3/c1-31-20(29)15-28-19-8-3-2-7-18(19)22(21(28)30)9-11-27(12-10-22)14-16-5-4-6-17(13-16)23(24,25)26/h2-8,13H,9-12,14-15H2,1H3
InChIKeyGYQHSQVYENCZDE-UHFFFAOYSA-N
XLogP3.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982524
1''-cyclooctylmethyl-1-methyl-5-trifluoromethylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982530
Methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982657
Methyl 2-[1'-[(4-tert-butylcyclohexyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982795
Methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
CID 15982797
Methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982935
Methyl 2-[1'-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982937
Methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15983062
3-Ethyl-1-methyl-3-[4-(4-phenylpiperazin-1-yl)butyl]indol-2-one
CID 24854108
Methyl 2-[1'-[(4-chlorophenyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 44404693
Methyl 2-[1'-(naphthalen-1-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 44404694
2-[1'-(Cyclooctylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]ethyl acetate
CID 44404731

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15982658) is methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is GYQHSQVYENCZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-31-20(29)15-28-19-8-3-2-7-18(19)22(21(28)30)9-11-27(12-10-22)14-16-5-4-6-17(13-16)23(24,25)26/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate has a molecular weight of 432.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15982658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).