spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

C33H33F3N4O4 — CID 158524628

IUPACspiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESC1=Nc2ccccc2C12CCNCC2.O=C(COc1ccccc1OC(F)(F)F)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H19F3N2O4.C12H14N2/c22-21(23,24)30-17-8-4-3-7-16(17)29-13-18(27)26-11-9-20(10-12-26)14-5-1-2-6-15(14)25-19(20)28;1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1-8H,9-13H2,(H,25,28);1-4,9,13H,5-8H2
InChIKeyHMQHUEYTSOWLBN-UHFFFAOYSA-N
MW606.65 g/mol
LogP5.50
Rot. Bonds4

About spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 158524628) has the molecular formula C33H33F3N4O4 and a molecular weight of 606.65 g/mol. Its IUPAC name is spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Namespiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID158524628
Molecular FormulaC33H33F3N4O4
Molecular Weight606.65 g/mol
Exact Mass606.25
IUPAC Namespiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESC1=Nc2ccccc2C12CCNCC2.O=C(COc1ccccc1OC(F)(F)F)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H19F3N2O4.C12H14N2/c22-21(23,24)30-17-8-4-3-7-16(17)29-13-18(27)26-11-9-20(10-12-26)14-5-1-2-6-15(14)25-19(20)28;1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1-8H,9-13H2,(H,25,28);1-4,9,13H,5-8H2
InChIKeyHMQHUEYTSOWLBN-UHFFFAOYSA-N
XLogP5.50
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.65
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 158524628) is spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is C1=Nc2ccccc2C12CCNCC2.O=C(COc1ccccc1OC(F)(F)F)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is HMQHUEYTSOWLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4.C12H14N2/c22-21(23,24)30-17-8-4-3-7-16(17)29-13-18(27)26-11-9-20(10-12-26)14-5-1-2-6-15(14)25-19(20)28;1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1-8H,9-13H2,(H,25,28);1-4,9,13H,5-8H2.
What are the key properties of spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 606.65 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 158524628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).