2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H16N4O2 — CID 63663349

IUPAC2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCC(NCc2cc(=O)n3ccccc3n2)CN1
InChIInChI=1S/C14H16N4O2/c19-13-5-4-10(8-16-13)15-9-11-7-14(20)18-6-2-1-3-12(18)17-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,16,19)
InChIKeyBXZXQXKKVZMTOU-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.06
Rot. Bonds3

About 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 63663349) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID63663349
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCC(NCc2cc(=O)n3ccccc3n2)CN1
InChIInChI=1S/C14H16N4O2/c19-13-5-4-10(8-16-13)15-9-11-7-14(20)18-6-2-1-3-12(18)17-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,16,19)
InChIKeyBXZXQXKKVZMTOU-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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Related Compounds

CID 43090470
CID 43090470
CID 7217027
CID 7217027
CID 123531699
CID 123531699
CID 64432596
CID 64432596
CID 89739389
CID 89739389
CID 89739716
CID 89739716
CID 89739899
CID 89739899
CID 89739947
CID 89739947
CID 89741093
CID 89741093
CID 89741131
CID 89741131
CID 89741137
CID 89741137
CID 89741558
CID 89741558

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 63663349) is 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CCC(NCc2cc(=O)n3ccccc3n2)CN1.
What is the InChIKey of 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BXZXQXKKVZMTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-5-4-10(8-16-13)15-9-11-7-14(20)18-6-2-1-3-12(18)17-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,16,19).
What are the key properties of 2-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(6-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-[[(6-oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 63663349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).