5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one

C18H22F4N4O2 — CID 154825732

IUPAC5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one
SMILESO=C1NNCC(N2Cc3cc(F)c(OC4CCCNC4)cc3C2)C1C(F)(F)F
InChIInChI=1S/C18H22F4N4O2/c19-13-4-10-8-26(14-7-24-25-17(27)16(14)18(20,21)22)9-11(10)5-15(13)28-12-2-1-3-23-6-12/h4-5,12,14,16,23-24H,1-3,6-9H2,(H,25,27)
InChIKeySYNKUQGYUSLVKH-UHFFFAOYSA-N
MW402.39 g/mol
LogP1.45
Rot. Bonds3

About 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one

5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one (PubChem CID 154825732) has the molecular formula C18H22F4N4O2 and a molecular weight of 402.39 g/mol. Its IUPAC name is 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one.

Molecular Properties

Compound Name5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one
PubChem CID154825732
Molecular FormulaC18H22F4N4O2
Molecular Weight402.39 g/mol
Exact Mass402.17
IUPAC Name5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one
SMILESO=C1NNCC(N2Cc3cc(F)c(OC4CCCNC4)cc3C2)C1C(F)(F)F
InChIInChI=1S/C18H22F4N4O2/c19-13-4-10-8-26(14-7-24-25-17(27)16(14)18(20,21)22)9-11(10)5-15(13)28-12-2-1-3-23-6-12/h4-5,12,14,16,23-24H,1-3,6-9H2,(H,25,27)
InChIKeySYNKUQGYUSLVKH-UHFFFAOYSA-N
XLogP1.45
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one with MolForge

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Related Compounds

US10550105, Example 3
CID 154825670
US10550105, Example 14
CID 154825681
US10550105, Example 19
CID 154825687
US10550105, Example 20
CID 154825688
US10550105, Example 27
CID 154825695
US10550105, Example 28
CID 154825696
US10550105, Example 44
CID 154825714
US10550105, Example 45
CID 154825715
US10550105, Example 48
CID 154825718
US10550105, Example 49
CID 154825719
US10550105, Example 53
CID 154825723
US10550105, Example 150
CID 154825828

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one?
The IUPAC name of 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one (CID 154825732) is 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one.
What is the SMILES notation for 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one?
The canonical SMILES for 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one is O=C1NNCC(N2Cc3cc(F)c(OC4CCCNC4)cc3C2)C1C(F)(F)F.
What is the InChIKey of 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one?
The InChIKey is SYNKUQGYUSLVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N4O2/c19-13-4-10-8-26(14-7-24-25-17(27)16(14)18(20,21)22)9-11(10)5-15(13)28-12-2-1-3-23-6-12/h4-5,12,14,16,23-24H,1-3,6-9H2,(H,25,27).
What are the key properties of 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one?
5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one has a molecular weight of 402.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-6-piperidin-3-yloxy-1,3-dihydroisoindol-2-yl)-4-(trifluoromethyl)diazinan-3-one is sourced from PubChem (CID 154825732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).