2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C20H25N5O3 — CID 91840830

IUPAC2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCc1noc(C2CCCN(Cc3cc(=O)n4ccc(C)cc4n3)C2)n1
InChIInChI=1S/C20H25N5O3/c1-14-5-8-25-18(10-14)21-16(11-19(25)26)13-24-7-3-4-15(12-24)20-22-17(23-28-20)6-9-27-2/h5,8,10-11,15H,3-4,6-7,9,12-13H2,1-2H3
InChIKeyJKLMFAUMTSUGIO-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.95
Rot. Bonds6

About 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 91840830) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID91840830
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCc1noc(C2CCCN(Cc3cc(=O)n4ccc(C)cc4n3)C2)n1
InChIInChI=1S/C20H25N5O3/c1-14-5-8-25-18(10-14)21-16(11-19(25)26)13-24-7-3-4-15(12-24)20-22-17(23-28-20)6-9-27-2/h5,8,10-11,15H,3-4,6-7,9,12-13H2,1-2H3
InChIKeyJKLMFAUMTSUGIO-UHFFFAOYSA-N
XLogP1.95
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 91840830) is 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is COCCc1noc(C2CCCN(Cc3cc(=O)n4ccc(C)cc4n3)C2)n1.
What is the InChIKey of 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JKLMFAUMTSUGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-5-8-25-18(10-14)21-16(11-19(25)26)13-24-7-3-4-15(12-24)20-22-17(23-28-20)6-9-27-2/h5,8,10-11,15H,3-4,6-7,9,12-13H2,1-2H3.
What are the key properties of 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91840830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).