9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one

C15H20N4O3 — CID 118740981

IUPAC9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCC(=O)N1CCCC2(CCN(c3cncnc3)C2=O)C1
InChIInChI=1S/C15H20N4O3/c1-22-9-13(20)18-5-2-3-15(10-18)4-6-19(14(15)21)12-7-16-11-17-8-12/h7-8,11H,2-6,9-10H2,1H3
InChIKeyZZOXFLVJGLLJQC-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.47
Rot. Bonds3

About 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one

9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118740981) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118740981
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCC(=O)N1CCCC2(CCN(c3cncnc3)C2=O)C1
InChIInChI=1S/C15H20N4O3/c1-22-9-13(20)18-5-2-3-15(10-18)4-6-19(14(15)21)12-7-16-11-17-8-12/h7-8,11H,2-6,9-10H2,1H3
InChIKeyZZOXFLVJGLLJQC-UHFFFAOYSA-N
XLogP0.47
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118740981) is 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one is COCC(=O)N1CCCC2(CCN(c3cncnc3)C2=O)C1.
What is the InChIKey of 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is ZZOXFLVJGLLJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-9-13(20)18-5-2-3-15(10-18)4-6-19(14(15)21)12-7-16-11-17-8-12/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 304.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118740981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).