2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H16N4O2 — CID 62670897

IUPAC2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1NCCCC1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H16N4O2/c19-13-8-10(17-12-5-1-2-7-18(12)13)9-16-11-4-3-6-15-14(11)20/h1-2,5,7-8,11,16H,3-4,6,9H2,(H,15,20)
InChIKeyVNHUARKFJAJQAQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.06
Rot. Bonds3

About 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62670897) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62670897
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1NCCCC1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H16N4O2/c19-13-8-10(17-12-5-1-2-7-18(12)13)9-16-11-4-3-6-15-14(11)20/h1-2,5,7-8,11,16H,3-4,6,9H2,(H,15,20)
InChIKeyVNHUARKFJAJQAQ-UHFFFAOYSA-N
XLogP0.06
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62670897) is 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1NCCCC1NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VNHUARKFJAJQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-8-10(17-12-5-1-2-7-18(12)13)9-16-11-4-3-6-15-14(11)20/h1-2,5,7-8,11,16H,3-4,6,9H2,(H,15,20).
What are the key properties of 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62670897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).