8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one

C19H25F3N2O3 — CID 58229908

IUPAC8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
SMILESCCCC1(O)CCC2(CCN(c3ccc(OCC(F)(F)F)nc3)C2=O)CC1
InChIInChI=1S/C19H25F3N2O3/c1-2-5-18(26)8-6-17(7-9-18)10-11-24(16(17)25)14-3-4-15(23-12-14)27-13-19(20,21)22/h3-4,12,26H,2,5-11,13H2,1H3
InChIKeyOSCQZHOETQWPCB-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.85
Rot. Bonds5

About 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one

8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58229908) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58229908
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
SMILESCCCC1(O)CCC2(CCN(c3ccc(OCC(F)(F)F)nc3)C2=O)CC1
InChIInChI=1S/C19H25F3N2O3/c1-2-5-18(26)8-6-17(7-9-18)10-11-24(16(17)25)14-3-4-15(23-12-14)27-13-19(20,21)22/h3-4,12,26H,2,5-11,13H2,1H3
InChIKeyOSCQZHOETQWPCB-UHFFFAOYSA-N
XLogP3.85
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one (CID 58229908) is 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one is CCCC1(O)CCC2(CCN(c3ccc(OCC(F)(F)F)nc3)C2=O)CC1.
What is the InChIKey of 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is OSCQZHOETQWPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-2-5-18(26)8-6-17(7-9-18)10-11-24(16(17)25)14-3-4-15(23-12-14)27-13-19(20,21)22/h3-4,12,26H,2,5-11,13H2,1H3.
What are the key properties of 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 386.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-propyl-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58229908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).