6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one

C22H27N3O2 — CID 156533586

IUPAC6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(c2cc(N3C[C@@H]4C[C@@H]4[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1
InChIInChI=1S/C22H27N3O2/c1-15-13-24(7-8-27-15)18-11-21(23-22(26)12-18)25-14-17-10-19(17)20(25)9-16-5-3-2-4-6-16/h2-6,11-12,15,17,19-20H,7-10,13-14H2,1H3,(H,23,26)/t15-,17+,19+,20+/m1/s1
InChIKeyGCKKBGHFJIZIAB-LQJIQPLVSA-N
MW365.48 g/mol
LogP2.67
Rot. Bonds4

About 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one

6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one (PubChem CID 156533586) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one
PubChem CID156533586
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(c2cc(N3C[C@@H]4C[C@@H]4[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1
InChIInChI=1S/C22H27N3O2/c1-15-13-24(7-8-27-15)18-11-21(23-22(26)12-18)25-14-17-10-19(17)20(25)9-16-5-3-2-4-6-16/h2-6,11-12,15,17,19-20H,7-10,13-14H2,1H3,(H,23,26)/t15-,17+,19+,20+/m1/s1
InChIKeyGCKKBGHFJIZIAB-LQJIQPLVSA-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 ≤ 500365.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

2-[(1S,2R,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533576
6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 174076900
2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533655
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
2,6-difluoro-4-[(2S)-2-methylmorpholin-4-yl]benzoic acid
CID 146567123
4-(3-chlorophenyl)-2-methylmorpholine
CID 170319463
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
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
3-methoxy-5-(2-methylmorpholin-4-yl)aniline
CID 80726541
4-(3-fluoro-2-nitrophenyl)-2-methylmorpholine
CID 61396882
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
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 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) is 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one is C[C@@H]1CN(c2cc(N3C[C@@H]4C[C@@H]4[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1.
What is the InChIKey of 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one?
The InChIKey is GCKKBGHFJIZIAB-LQJIQPLVSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-13-24(7-8-27-15)18-11-21(23-22(26)12-18)25-14-17-10-19(17)20(25)9-16-5-3-2-4-6-16/h2-6,11-12,15,17,19-20H,7-10,13-14H2,1H3,(H,23,26)/t15-,17+,19+,20+/m1/s1.
What are the key properties of 6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one?
6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one has a molecular weight of 365.48 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-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 156533586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).