2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C15H27N3O2 — CID 102682426

IUPAC2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CC3CCCNC3C2)CC(C)O1
InChIInChI=1S/C15H27N3O2/c1-11-6-18(7-12(2)20-11)15(19)10-17-8-13-4-3-5-16-14(13)9-17/h11-14,16H,3-10H2,1-2H3
InChIKeyUWCIKKAETOLZQJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.31
Rot. Bonds2

About 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 102682426) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID102682426
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CC3CCCNC3C2)CC(C)O1
InChIInChI=1S/C15H27N3O2/c1-11-6-18(7-12(2)20-11)15(19)10-17-8-13-4-3-5-16-14(13)9-17/h11-14,16H,3-10H2,1-2H3
InChIKeyUWCIKKAETOLZQJ-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone with MolForge

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Related Compounds

2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 102682988
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetic acid
CID 102682014
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
CID 104958689
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N,N-dimethylacetamide
CID 102682474
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N,N-dipropylacetamide
CID 102682482
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone
CID 107148097
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-carbamoylacetamide
CID 102683124
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethyl-N-methylacetamide
CID 102683256
1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]propan-1-one
CID 102679674
1-morpholin-4-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 60978297
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-cyclopropyl-N-ethylacetamide
CID 102682688

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 102682426) is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CC3CCCNC3C2)CC(C)O1.
What is the InChIKey of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is UWCIKKAETOLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-6-18(7-12(2)20-11)15(19)10-17-8-13-4-3-5-16-14(13)9-17/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 102682426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).