6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one

C14H13BrF3N3O2 — CID 90142910

IUPAC6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESO=C(N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O)C(F)(F)F
InChIInChI=1S/C14H13BrF3N3O2/c15-9-5-8-6-13(11(22)20-10(8)19-7-9)1-3-21(4-2-13)12(23)14(16,17)18/h5,7H,1-4,6H2,(H,19,20,22)
InChIKeyACSOGLXNCPTNER-UHFFFAOYSA-N
MW392.18 g/mol
LogP2.51
Rot. Bonds

About 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one

6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (PubChem CID 90142910) has the molecular formula C14H13BrF3N3O2 and a molecular weight of 392.18 g/mol. Its IUPAC name is 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
PubChem CID90142910
Molecular FormulaC14H13BrF3N3O2
Molecular Weight392.18 g/mol
Exact Mass391.01
IUPAC Name6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESO=C(N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O)C(F)(F)F
InChIInChI=1S/C14H13BrF3N3O2/c15-9-5-8-6-13(11(22)20-10(8)19-7-9)1-3-21(4-2-13)12(23)14(16,17)18/h5,7H,1-4,6H2,(H,19,20,22)
InChIKeyACSOGLXNCPTNER-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The IUPAC name of 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (CID 90142910) is 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is O=C(N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O)C(F)(F)F.
What is the InChIKey of 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The InChIKey is ACSOGLXNCPTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3O2/c15-9-5-8-6-13(11(22)20-10(8)19-7-9)1-3-21(4-2-13)12(23)14(16,17)18/h5,7H,1-4,6H2,(H,19,20,22).
What are the key properties of 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one has a molecular weight of 392.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 90142910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).