2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

C12H18F3N3O2 — CID 146624371

IUPAC2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCNCC(=O)N1CCC2(CC1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C12H18F3N3O2/c1-16-6-9(19)17-4-2-11(3-5-17)7-18(8-11)10(20)12(13,14)15/h16H,2-8H2,1H3
InChIKeyHZSCQXNEUPBVLV-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.22
Rot. Bonds2

About 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 146624371) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
PubChem CID146624371
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCNCC(=O)N1CCC2(CC1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C12H18F3N3O2/c1-16-6-9(19)17-4-2-11(3-5-17)7-18(8-11)10(20)12(13,14)15/h16H,2-8H2,1H3
InChIKeyHZSCQXNEUPBVLV-UHFFFAOYSA-N
XLogP0.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone 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 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 146624371) is 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is CNCC(=O)N1CCC2(CC1)CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is HZSCQXNEUPBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-16-6-9(19)17-4-2-11(3-5-17)7-18(8-11)10(20)12(13,14)15/h16H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 293.29 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[7-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 146624371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).