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

C17H23F3N4O5 — CID 118742869

IUPACN-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)COC1COC2(CCN(c3ncccn3)CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4O3.C2HF3O2/c1-16-13(20)11-21-12-9-15(22-10-12)3-7-19(8-4-15)14-17-5-2-6-18-14;3-2(4,5)1(6)7/h2,5-6,12H,3-4,7-11H2,1H3,(H,16,20);(H,6,7)
InChIKeyWCFBXWNTPCYQGV-UHFFFAOYSA-N
MW420.39 g/mol
LogP1.00
Rot. Bonds4

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

N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118742869) has the molecular formula C17H23F3N4O5 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118742869
Molecular FormulaC17H23F3N4O5
Molecular Weight420.39 g/mol
Exact Mass420.16
IUPAC NameN-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)COC1COC2(CCN(c3ncccn3)CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4O3.C2HF3O2/c1-16-13(20)11-21-12-9-15(22-10-12)3-7-19(8-4-15)14-17-5-2-6-18-14;3-2(4,5)1(6)7/h2,5-6,12H,3-4,7-11H2,1H3,(H,16,20);(H,6,7)
InChIKeyWCFBXWNTPCYQGV-UHFFFAOYSA-N
XLogP1.00
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid (CID 118742869) is N-methyl-2-[(8-pyrimidin-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-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid is CNC(=O)COC1COC2(CCN(c3ncccn3)CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is WCFBXWNTPCYQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.C2HF3O2/c1-16-13(20)11-21-12-9-15(22-10-12)3-7-19(8-4-15)14-17-5-2-6-18-14;3-2(4,5)1(6)7/h2,5-6,12H,3-4,7-11H2,1H3,(H,16,20);(H,6,7).
What are the key properties of N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid?
N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 420.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).