N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid

C18H25F3N4O5 — CID 118742879

IUPACN,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COC1COC2(CCN(c3cnccn3)CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O3.C2HF3O2/c1-19(2)15(21)12-22-13-9-16(23-11-13)3-7-20(8-4-16)14-10-17-5-6-18-14;3-2(4,5)1(6)7/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3;(H,6,7)
InChIKeyKRABJXSHIKCTQQ-UHFFFAOYSA-N
MW434.42 g/mol
LogP1.34
Rot. Bonds4

About N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118742879) has the molecular formula C18H25F3N4O5 and a molecular weight of 434.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118742879
Molecular FormulaC18H25F3N4O5
Molecular Weight434.42 g/mol
Exact Mass434.18
IUPAC NameN,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COC1COC2(CCN(c3cnccn3)CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O3.C2HF3O2/c1-19(2)15(21)12-22-13-9-16(23-11-13)3-7-20(8-4-16)14-10-17-5-6-18-14;3-2(4,5)1(6)7/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3;(H,6,7)
InChIKeyKRABJXSHIKCTQQ-UHFFFAOYSA-N
XLogP1.34
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid (CID 118742879) is N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)COC1COC2(CCN(c3cnccn3)CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KRABJXSHIKCTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.C2HF3O2/c1-19(2)15(21)12-22-13-9-16(23-11-13)3-7-20(8-4-16)14-10-17-5-6-18-14;3-2(4,5)1(6)7/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 434.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).