3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione

C14H15N3O2 — CID 69283943

IUPAC3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione
SMILESNCc1cccc2cn(C3CCC(=O)NC3=O)cc12
InChIInChI=1S/C14H15N3O2/c15-6-9-2-1-3-10-7-17(8-11(9)10)12-4-5-13(18)16-14(12)19/h1-3,7-8,12H,4-6,15H2,(H,16,18,19)
InChIKeyDYLZTZZNPASVMA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.08
Rot. Bonds2

About 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione

3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione (PubChem CID 69283943) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione
PubChem CID69283943
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione
SMILESNCc1cccc2cn(C3CCC(=O)NC3=O)cc12
InChIInChI=1S/C14H15N3O2/c15-6-9-2-1-3-10-7-17(8-11(9)10)12-4-5-13(18)16-14(12)19/h1-3,7-8,12H,4-6,15H2,(H,16,18,19)
InChIKeyDYLZTZZNPASVMA-UHFFFAOYSA-N
XLogP1.08
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione (CID 69283943) is 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione is NCc1cccc2cn(C3CCC(=O)NC3=O)cc12.
What is the InChIKey of 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DYLZTZZNPASVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-6-9-2-1-3-10-7-17(8-11(9)10)12-4-5-13(18)16-14(12)19/h1-3,7-8,12H,4-6,15H2,(H,16,18,19).
What are the key properties of 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione?
3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 257.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 69283943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).