1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone

C19H24F3N3O2 — CID 46184138

IUPAC1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1)C(F)(F)F
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)18(26)25-11-8-16-13(12-25)4-5-17(23-16)27-15-6-9-24(10-7-15)14-2-1-3-14/h4-5,14-15H,1-3,6-12H2
InChIKeyWODCZOKWRHJNLY-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.92
Rot. Bonds3

About 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone

1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone (PubChem CID 46184138) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone
PubChem CID46184138
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1)C(F)(F)F
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)18(26)25-11-8-16-13(12-25)4-5-17(23-16)27-15-6-9-24(10-7-15)14-2-1-3-14/h4-5,14-15H,1-3,6-12H2
InChIKeyWODCZOKWRHJNLY-UHFFFAOYSA-N
XLogP2.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 46853880
[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone
CID 46183661
2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 66885650
[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone
CID 46183912
(E)-but-2-enedioic acid;2-(1-cyclobutylpiperidin-4-yl)oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194083
2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194751
2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194210
3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 91917843
N-cyclopentyl-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917863
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 615216
[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 59670513
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone (CID 46184138) is 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone is O=C(N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1)C(F)(F)F.
What is the InChIKey of 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone?
The InChIKey is WODCZOKWRHJNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)18(26)25-11-8-16-13(12-25)4-5-17(23-16)27-15-6-9-24(10-7-15)14-2-1-3-14/h4-5,14-15H,1-3,6-12H2.
What are the key properties of 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone?
1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone has a molecular weight of 383.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 46184138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).