3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one

C20H24N2O4 — CID 132765032

IUPAC3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
SMILESCc1ccc(C(=O)N2CCOC(CO)(Cc3ccccc3)C2)c(=O)n1C
InChIInChI=1S/C20H24N2O4/c1-15-8-9-17(18(24)21(15)2)19(25)22-10-11-26-20(13-22,14-23)12-16-6-4-3-5-7-16/h3-9,23H,10-14H2,1-2H3
InChIKeyXVQVRHLGERGEKG-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.14
Rot. Bonds4

About 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one

3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one (PubChem CID 132765032) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
PubChem CID132765032
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
SMILESCc1ccc(C(=O)N2CCOC(CO)(Cc3ccccc3)C2)c(=O)n1C
InChIInChI=1S/C20H24N2O4/c1-15-8-9-17(18(24)21(15)2)19(25)22-10-11-26-20(13-22,14-23)12-16-6-4-3-5-7-16/h3-9,23H,10-14H2,1-2H3
InChIKeyXVQVRHLGERGEKG-UHFFFAOYSA-N
XLogP1.14
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 132649107
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
CID 132764631
[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132776944
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132776943
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 171699942
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
CID 132649139
3-[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptane-7-carbonyl]-1,6-dimethylpyridin-2-one
CID 146041650
3-(1'-acetylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-5-carbonyl)-1,6-dimethylpyridin-2-one
CID 110065150
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone
CID 132764967

Frequently Asked Questions

What is the IUPAC name of 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one (CID 132765032) is 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one is Cc1ccc(C(=O)N2CCOC(CO)(Cc3ccccc3)C2)c(=O)n1C.
What is the InChIKey of 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one?
The InChIKey is XVQVRHLGERGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15-8-9-17(18(24)21(15)2)19(25)22-10-11-26-20(13-22,14-23)12-16-6-4-3-5-7-16/h3-9,23H,10-14H2,1-2H3.
What are the key properties of 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one?
3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one has a molecular weight of 356.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 132765032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).