1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one

C17H19F3N2O2 — CID 147971308

IUPAC1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(CCC(F)(F)F)CN1C(=O)C2(CCNCC2)c2ccccc21
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)6-5-12(23)11-22-14-4-2-1-3-13(14)16(15(22)24)7-9-21-10-8-16/h1-4,21H,5-11H2
InChIKeyIRJVYHVSWKQBHP-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.57
Rot. Bonds4

About 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one

1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 147971308) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID147971308
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(CCC(F)(F)F)CN1C(=O)C2(CCNCC2)c2ccccc21
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)6-5-12(23)11-22-14-4-2-1-3-13(14)16(15(22)24)7-9-21-10-8-16/h1-4,21H,5-11H2
InChIKeyIRJVYHVSWKQBHP-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one (CID 147971308) is 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one is O=C(CCC(F)(F)F)CN1C(=O)C2(CCNCC2)c2ccccc21.
What is the InChIKey of 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is IRJVYHVSWKQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)6-5-12(23)11-22-14-4-2-1-3-13(14)16(15(22)24)7-9-21-10-8-16/h1-4,21H,5-11H2.
What are the key properties of 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 340.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 147971308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).