[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid

C18H25F3N4O4 — CID 155827578

IUPAC[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CCN(C(=O)c1cnccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O2.C2HF3O2/c1-22-11-10-19-7-2-16(3-8-19)4-9-20(13-16)15(21)14-12-17-5-6-18-14;3-2(4,5)1(6)7/h5-6,12H,2-4,7-11,13H2,1H3;(H,6,7)
InChIKeyIGZYVUMKFCRTEH-UHFFFAOYSA-N
MW418.42 g/mol
LogP1.68
Rot. Bonds4

About [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid

[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155827578) has the molecular formula C18H25F3N4O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155827578
Molecular FormulaC18H25F3N4O4
Molecular Weight418.42 g/mol
Exact Mass418.18
IUPAC Name[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CCN(C(=O)c1cnccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O2.C2HF3O2/c1-22-11-10-19-7-2-16(3-8-19)4-9-20(13-16)15(21)14-12-17-5-6-18-14;3-2(4,5)1(6)7/h5-6,12H,2-4,7-11,13H2,1H3;(H,6,7)
InChIKeyIGZYVUMKFCRTEH-UHFFFAOYSA-N
XLogP1.68
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 155827578) is [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid is COCCN1CCC2(CC1)CCN(C(=O)c1cnccn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is IGZYVUMKFCRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.C2HF3O2/c1-22-11-10-19-7-2-16(3-8-19)4-9-20(13-16)15(21)14-12-17-5-6-18-14;3-2(4,5)1(6)7/h5-6,12H,2-4,7-11,13H2,1H3;(H,6,7).
What are the key properties of [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid?
[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 418.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).