6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C22H29N3O2 — CID 174076900

IUPAC6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESC[C@@H]1C[C@@H](Cc2ccccc2)N(c2cc(N3CCOCC3)cc(=O)[nH]2)[C@@H]1C
InChIInChI=1S/C22H29N3O2/c1-16-12-20(13-18-6-4-3-5-7-18)25(17(16)2)21-14-19(15-22(26)23-21)24-8-10-27-11-9-24/h3-7,14-17,20H,8-13H2,1-2H3,(H,23,26)/t16-,17-,20+/m1/s1
InChIKeyZSTRSCKQLBXAEH-HLIPFELVSA-N
MW367.49 g/mol
LogP3.06
Rot. Bonds4

About 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 174076900) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID174076900
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESC[C@@H]1C[C@@H](Cc2ccccc2)N(c2cc(N3CCOCC3)cc(=O)[nH]2)[C@@H]1C
InChIInChI=1S/C22H29N3O2/c1-16-12-20(13-18-6-4-3-5-7-18)25(17(16)2)21-14-19(15-22(26)23-21)24-8-10-27-11-9-24/h3-7,14-17,20H,8-13H2,1-2H3,(H,23,26)/t16-,17-,20+/m1/s1
InChIKeyZSTRSCKQLBXAEH-HLIPFELVSA-N
XLogP3.06
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one with MolForge

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Related Compounds

6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156749681
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-[(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
6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156533558
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
2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533655
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
(5R,7S,7aR)-5-benzyl-7-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 10561501
2-[(1S,2R,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533576
4-(4-benzylphenyl)morpholine
CID 11514364
4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
CID 46338917
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 174076900) is 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one is C[C@@H]1C[C@@H](Cc2ccccc2)N(c2cc(N3CCOCC3)cc(=O)[nH]2)[C@@H]1C.
What is the InChIKey of 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is ZSTRSCKQLBXAEH-HLIPFELVSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-12-20(13-18-6-4-3-5-7-18)25(17(16)2)21-14-19(15-22(26)23-21)24-8-10-27-11-9-24/h3-7,14-17,20H,8-13H2,1-2H3,(H,23,26)/t16-,17-,20+/m1/s1.
What are the key properties of 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 367.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 174076900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).