7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

C14H20N4O3 — CID 118739521

IUPAC7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCC(=O)N1CCC2(CCN(c3cnn(C)c3)C2=O)C1
InChIInChI=1S/C14H20N4O3/c1-16-8-11(7-15-16)18-6-4-14(13(18)20)3-5-17(10-14)12(19)9-21-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyYPEWJCHDKRAODI-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.02
Rot. Bonds3

About 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 118739521) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID118739521
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCC(=O)N1CCC2(CCN(c3cnn(C)c3)C2=O)C1
InChIInChI=1S/C14H20N4O3/c1-16-8-11(7-15-16)18-6-4-14(13(18)20)3-5-17(10-14)12(19)9-21-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyYPEWJCHDKRAODI-UHFFFAOYSA-N
XLogP0.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one 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 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 118739521) is 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is COCC(=O)N1CCC2(CCN(c3cnn(C)c3)C2=O)C1.
What is the InChIKey of 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is YPEWJCHDKRAODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-16-8-11(7-15-16)18-6-4-14(13(18)20)3-5-17(10-14)12(19)9-21-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 292.34 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 118739521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).