3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C14H17N3O2 — CID 171058791

IUPAC3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESNCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H17N3O2/c15-6-9-1-2-10-7-17(8-11(10)5-9)12-3-4-13(18)16-14(12)19/h1-2,5,12H,3-4,6-8,15H2,(H,16,18,19)
InChIKeyVHQHBUKFDCZNOG-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.27
Rot. Bonds2

About 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 171058791) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID171058791
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESNCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H17N3O2/c15-6-9-1-2-10-7-17(8-11(10)5-9)12-3-4-13(18)16-14(12)19/h1-2,5,12H,3-4,6-8,15H2,(H,16,18,19)
InChIKeyVHQHBUKFDCZNOG-UHFFFAOYSA-N
XLogP0.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175906497
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158044
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158027
3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methanesulfonic acid
CID 86630765
1-(2,5-dichlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]urea
CID 135264654
3-[5-[(3S)-3-aminopiperidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880578
3-[6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730252
3-[7-(aminomethyl)-1-oxoisoquinolin-2-yl]piperidine-2,6-dione
CID 142469980
3-[5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 166069947
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 171058791) is 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is VHQHBUKFDCZNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-6-9-1-2-10-7-17(8-11(10)5-9)12-3-4-13(18)16-14(12)19/h1-2,5,12H,3-4,6-8,15H2,(H,16,18,19).
What are the key properties of 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 259.31 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171058791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).