7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one

C17H22F3N3O2 — CID 72856752

IUPAC7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3cccc(C(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C17H22F3N3O2/c1-25-11-10-22-8-3-6-16(15(22)24)7-9-23(12-16)14-5-2-4-13(21-14)17(18,19)20/h2,4-5H,3,6-12H2,1H3
InChIKeyDDXHLELXUJHUKK-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.57
Rot. Bonds4

About 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72856752) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72856752
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3cccc(C(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C17H22F3N3O2/c1-25-11-10-22-8-3-6-16(15(22)24)7-9-23(12-16)14-5-2-4-13(21-14)17(18,19)20/h2,4-5H,3,6-12H2,1H3
InChIKeyDDXHLELXUJHUKK-UHFFFAOYSA-N
XLogP2.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72856752) is 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(c3cccc(C(F)(F)F)n3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DDXHLELXUJHUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-25-11-10-22-8-3-6-16(15(22)24)7-9-23(12-16)14-5-2-4-13(21-14)17(18,19)20/h2,4-5H,3,6-12H2,1H3.
What are the key properties of 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72856752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).