1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone

C16H20F3N3O2 — CID 122516824

IUPAC1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESCC(=O)N1CCC2(CC(Oc3cc(CN)cc(C(F)(F)F)n3)C2)C1
InChIInChI=1S/C16H20F3N3O2/c1-10(23)22-3-2-15(9-22)6-12(7-15)24-14-5-11(8-20)4-13(21-14)16(17,18)19/h4-5,12H,2-3,6-9,20H2,1H3
InChIKeyZXERRERAZGCVDW-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.34
Rot. Bonds3

About 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone

1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone (PubChem CID 122516824) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone
PubChem CID122516824
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESCC(=O)N1CCC2(CC(Oc3cc(CN)cc(C(F)(F)F)n3)C2)C1
InChIInChI=1S/C16H20F3N3O2/c1-10(23)22-3-2-15(9-22)6-12(7-15)24-14-5-11(8-20)4-13(21-14)16(17,18)19/h4-5,12H,2-3,6-9,20H2,1H3
InChIKeyZXERRERAZGCVDW-UHFFFAOYSA-N
XLogP2.34
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone?
The IUPAC name of 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone (CID 122516824) is 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone.
What is the SMILES notation for 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone?
The canonical SMILES for 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone is CC(=O)N1CCC2(CC(Oc3cc(CN)cc(C(F)(F)F)n3)C2)C1.
What is the InChIKey of 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone?
The InChIKey is ZXERRERAZGCVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10(23)22-3-2-15(9-22)6-12(7-15)24-14-5-11(8-20)4-13(21-14)16(17,18)19/h4-5,12H,2-3,6-9,20H2,1H3.
What are the key properties of 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone?
1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone has a molecular weight of 343.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-6-azaspiro[3.4]octan-6-yl]ethanone is sourced from PubChem (CID 122516824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).