6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one

C20H23F2N3O2 — CID 156749681

IUPAC6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(N2CC(F)(F)CC2Cc2ccccc2)[nH]1
InChIInChI=1S/C20H23F2N3O2/c21-20(22)13-17(10-15-4-2-1-3-5-15)25(14-20)18-11-16(12-19(26)23-18)24-6-8-27-9-7-24/h1-5,11-12,17H,6-10,13-14H2,(H,23,26)
InChIKeyDAVBGRFAKHTZBQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.67
Rot. Bonds4

About 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one

6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 156749681) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID156749681
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(N2CC(F)(F)CC2Cc2ccccc2)[nH]1
InChIInChI=1S/C20H23F2N3O2/c21-20(22)13-17(10-15-4-2-1-3-5-15)25(14-20)18-11-16(12-19(26)23-18)24-6-8-27-9-7-24/h1-5,11-12,17H,6-10,13-14H2,(H,23,26)
InChIKeyDAVBGRFAKHTZBQ-UHFFFAOYSA-N
XLogP2.67
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-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

6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 174076900
6-[(2R,5R)-1-benzyl-7-azatricyclo[3.2.0.02,6]heptan-7-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 156533668
6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156533558
6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 156533586
2-[(1S,2R,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533576
2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533655
7-benzylazepan-2-one;7-benzyl-1-[6-[(4-methoxyphenyl)methoxy]-4-morpholin-4-yl-2-pyridinyl]azepan-2-one;(7R)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one;(7S)-7-benzyl-1-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)azepan-2-one
CID 159078005
4-(4-benzylphenyl)morpholine
CID 11514364
[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 167800636
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 158084949
3-benzyl-4-methylmorpholine;ethane
CID 168940239

Frequently Asked Questions

What is the IUPAC name of 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one (CID 156749681) is 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(N2CC(F)(F)CC2Cc2ccccc2)[nH]1.
What is the InChIKey of 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is DAVBGRFAKHTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c21-20(22)13-17(10-15-4-2-1-3-5-15)25(14-20)18-11-16(12-19(26)23-18)24-6-8-27-9-7-24/h1-5,11-12,17H,6-10,13-14H2,(H,23,26).
What are the key properties of 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 375.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 156749681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).