1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one

C18H26N2O3 — CID 94961024

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCOCC2)n(CCC2=CCCCC2)cc1O
InChIInChI=1S/C18H26N2O3/c21-17-12-16(13-19-8-10-23-11-9-19)20(14-18(17)22)7-6-15-4-2-1-3-5-15/h4,12,14,22H,1-3,5-11,13H2
InChIKeyAIQLSSWJCVKGJE-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one

1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 94961024) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID94961024
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCOCC2)n(CCC2=CCCCC2)cc1O
InChIInChI=1S/C18H26N2O3/c21-17-12-16(13-19-8-10-23-11-9-19)20(14-18(17)22)7-6-15-4-2-1-3-5-15/h4,12,14,22H,1-3,5-11,13H2
InChIKeyAIQLSSWJCVKGJE-UHFFFAOYSA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-(morpholin-4-ylmethyl)-1-prop-2-enylpyridin-4-one
CID 82218404
1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960996
1-(3-ethoxypropyl)-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218677
5-hydroxy-1-(2-hydroxypropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218215
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94961030
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
1-cyclooctyl-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960120
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960224
5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82218489

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 94961024) is 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one is O=c1cc(CN2CCOCC2)n(CCC2=CCCCC2)cc1O.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is AIQLSSWJCVKGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17-12-16(13-19-8-10-23-11-9-19)20(14-18(17)22)7-6-15-4-2-1-3-5-15/h4,12,14,22H,1-3,5-11,13H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one?
1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 318.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94961024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).