4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one

C15H27N3O2 — CID 102682178

IUPAC4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCN1CC2CCCNC2C1)N1CCOCC1
InChIInChI=1S/C15H27N3O2/c19-15(18-7-9-20-10-8-18)4-2-6-17-11-13-3-1-5-16-14(13)12-17/h13-14,16H,1-12H2
InChIKeyVVWOCWLCFUIAFK-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.31
Rot. Bonds4

About 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one

4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one (PubChem CID 102682178) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one
PubChem CID102682178
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCN1CC2CCCNC2C1)N1CCOCC1
InChIInChI=1S/C15H27N3O2/c19-15(18-7-9-20-10-8-18)4-2-6-17-11-13-3-1-5-16-14(13)12-17/h13-14,16H,1-12H2
InChIKeyVVWOCWLCFUIAFK-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-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

1-morpholin-4-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 60978297
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-methylbutanamide
CID 102682928
1-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 102680079
3-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-carbamoylpropanamide
CID 102682995
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
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
CID 116684155
4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 62063781
4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]sulfonyl]morpholine
CID 102681232
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetic acid
CID 102682014
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)butanenitrile
CID 102682185
(4aS,7aS)-6-[3-(2-methoxyethoxy)propyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103411168

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one (CID 102682178) is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one is O=C(CCCN1CC2CCCNC2C1)N1CCOCC1.
What is the InChIKey of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one?
The InChIKey is VVWOCWLCFUIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-15(18-7-9-20-10-8-18)4-2-6-17-11-13-3-1-5-16-14(13)12-17/h13-14,16H,1-12H2.
What are the key properties of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one?
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 102682178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).