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

C23H23F3N2O3 — CID 15982657

IUPACmethyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H23F3N2O3/c1-31-20(29)15-28-19-5-3-2-4-18(19)22(21(28)30)10-12-27(13-11-22)14-16-6-8-17(9-7-16)23(24,25)26/h2-9H,10-15H2,1H3
InChIKeyDCWFNQNFMSENOI-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.76
Rot. Bonds4

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

methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15982657) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15982657
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Namemethyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H23F3N2O3/c1-31-20(29)15-28-19-5-3-2-4-18(19)22(21(28)30)10-12-27(13-11-22)14-16-6-8-17(9-7-16)23(24,25)26/h2-9H,10-15H2,1H3
InChIKeyDCWFNQNFMSENOI-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15982657) is methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is DCWFNQNFMSENOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-31-20(29)15-28-19-5-3-2-4-18(19)22(21(28)30)10-12-27(13-11-22)14-16-6-8-17(9-7-16)23(24,25)26/h2-9H,10-15H2,1H3.
What are the key properties of methyl 2-[2-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[2-oxo-1'-[[4-(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'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15982657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).