N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid

C18H26F3N5O3 — CID 155838401

IUPACN-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CN1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O.C2HF3O2/c1-17-15(22)12-20-9-4-16(5-10-20)3-2-8-21(13-16)14-11-18-6-7-19-14;3-2(4,5)1(6)7/h6-7,11H,2-5,8-10,12-13H2,1H3,(H,17,22);(H,6,7)
InChIKeyZBKXZKMTORIUNR-UHFFFAOYSA-N
MW417.43 g/mol
LogP1.54
Rot. Bonds3

About N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid

N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155838401) has the molecular formula C18H26F3N5O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID155838401
Molecular FormulaC18H26F3N5O3
Molecular Weight417.43 g/mol
Exact Mass417.20
IUPAC NameN-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CN1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O.C2HF3O2/c1-17-15(22)12-20-9-4-16(5-10-20)3-2-8-21(13-16)14-11-18-6-7-19-14;3-2(4,5)1(6)7/h6-7,11H,2-5,8-10,12-13H2,1H3,(H,17,22);(H,6,7)
InChIKeyZBKXZKMTORIUNR-UHFFFAOYSA-N
XLogP1.54
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N1-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71786355
Cyclopentyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742287
Cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742289
9-Propan-2-yl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155835572
2-(2-Methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155835579
2-(Cyclobutylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155838560
9-Methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155843156
N-methyl-2-[2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155850673
4-[2-(Dimethylamino)ethyl]-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 155854837
1,4-Dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 155857171
6,6-Difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171672799
N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
CID 97484544

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid (CID 155838401) is N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid is CNC(=O)CN1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZBKXZKMTORIUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O.C2HF3O2/c1-17-15(22)12-20-9-4-16(5-10-20)3-2-8-21(13-16)14-11-18-6-7-19-14;3-2(4,5)1(6)7/h6-7,11H,2-5,8-10,12-13H2,1H3,(H,17,22);(H,6,7).
What are the key properties of N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid?
N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 417.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).