5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

C18H27N3O4 — CID 71704437

IUPAC5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCOc1cn(CC(=O)N2CCOCC2)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C18H27N3O4/c1-24-17-13-21(14-18(23)20-7-9-25-10-8-20)15(11-16(17)22)12-19-5-3-2-4-6-19/h11,13H,2-10,12,14H2,1H3
InChIKeyIMCSSJJCRLXWMB-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.70
Rot. Bonds5

About 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 71704437) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID71704437
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCOc1cn(CC(=O)N2CCOCC2)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C18H27N3O4/c1-24-17-13-21(14-18(23)20-7-9-25-10-8-20)15(11-16(17)22)12-19-5-3-2-4-6-19/h11,13H,2-10,12,14H2,1H3
InChIKeyIMCSSJJCRLXWMB-UHFFFAOYSA-N
XLogP0.70
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 71704437) is 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is COc1cn(CC(=O)N2CCOCC2)c(CN2CCCCC2)cc1=O.
What is the InChIKey of 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is IMCSSJJCRLXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-24-17-13-21(14-18(23)20-7-9-25-10-8-20)15(11-16(17)22)12-19-5-3-2-4-6-19/h11,13H,2-10,12,14H2,1H3.
What are the key properties of 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 349.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 71704437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).