3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione

C14H17N3O2 — CID 161114732

IUPAC3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione
SMILESCN1CCc2c(CC3CCC(=O)NC3=O)ccnc21
InChIInChI=1S/C14H17N3O2/c1-17-7-5-11-9(4-6-15-13(11)17)8-10-2-3-12(18)16-14(10)19/h4,6,10H,2-3,5,7-8H2,1H3,(H,16,18,19)
InChIKeyFQGPHNHABHGLTM-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.67
Rot. Bonds2

About 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione

3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione (PubChem CID 161114732) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione
PubChem CID161114732
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione
SMILESCN1CCc2c(CC3CCC(=O)NC3=O)ccnc21
InChIInChI=1S/C14H17N3O2/c1-17-7-5-11-9(4-6-15-13(11)17)8-10-2-3-12(18)16-14(10)19/h4,6,10H,2-3,5,7-8H2,1H3,(H,16,18,19)
InChIKeyFQGPHNHABHGLTM-UHFFFAOYSA-N
XLogP0.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione
CID 159174165
(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol
CID 77230994
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
3-(imidazo[1,5-a]pyridin-6-ylmethyl)piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione;3-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione
CID 160510988
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
2-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]acetic acid
CID 165078631
CID 174088430
CID 174088430
3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione
CID 91182909
3-[4-[4-[(4S)-3,3-difluoropiperidin-4-yl]piperazin-1-yl]-3-methyl-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-2,6-dione
CID 169120350
3-[7-fluoro-6-[3-fluoro-4-[[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649431

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione (CID 161114732) is 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione is CN1CCc2c(CC3CCC(=O)NC3=O)ccnc21.
What is the InChIKey of 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione?
The InChIKey is FQGPHNHABHGLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-7-5-11-9(4-6-15-13(11)17)8-10-2-3-12(18)16-14(10)19/h4,6,10H,2-3,5,7-8H2,1H3,(H,16,18,19).
What are the key properties of 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione?
3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione has a molecular weight of 259.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 161114732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).