2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H16N4O2 — CID 168723289

IUPAC2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC2(CN1)CN(Cc1cc(=O)n3ccccc3n1)C2
InChIInChI=1S/C15H16N4O2/c20-13-6-15(8-16-13)9-18(10-15)7-11-5-14(21)19-4-2-1-3-12(19)17-11/h1-5H,6-10H2,(H,16,20)
InChIKeyBXRYKTKSJKEMTC-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.02
Rot. Bonds2

About 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 168723289) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID168723289
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC2(CN1)CN(Cc1cc(=O)n3ccccc3n1)C2
InChIInChI=1S/C15H16N4O2/c20-13-6-15(8-16-13)9-18(10-15)7-11-5-14(21)19-4-2-1-3-12(19)17-11/h1-5H,6-10H2,(H,16,20)
InChIKeyBXRYKTKSJKEMTC-UHFFFAOYSA-N
XLogP0.02
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 168723289) is 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CC2(CN1)CN(Cc1cc(=O)n3ccccc3n1)C2.
What is the InChIKey of 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BXRYKTKSJKEMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-13-6-15(8-16-13)9-18(10-15)7-11-5-14(21)19-4-2-1-3-12(19)17-11/h1-5H,6-10H2,(H,16,20).
What are the key properties of 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 284.32 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 168723289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).