4-amino-2-piperidin-1-ylisoindole-1,3-dione

C13H15N3O2 — CID 83026584

IUPAC4-amino-2-piperidin-1-ylisoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(N1CCCCC1)C2=O
InChIInChI=1S/C13H15N3O2/c14-10-6-4-5-9-11(10)13(18)16(12(9)17)15-7-2-1-3-8-15/h4-6H,1-3,7-8,14H2
InChIKeyICCVFKMGHMXRIM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.27
Rot. Bonds1

About 4-amino-2-piperidin-1-ylisoindole-1,3-dione

4-amino-2-piperidin-1-ylisoindole-1,3-dione (PubChem CID 83026584) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-amino-2-piperidin-1-ylisoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-piperidin-1-ylisoindole-1,3-dione
PubChem CID83026584
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-amino-2-piperidin-1-ylisoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(N1CCCCC1)C2=O
InChIInChI=1S/C13H15N3O2/c14-10-6-4-5-9-11(10)13(18)16(12(9)17)15-7-2-1-3-8-15/h4-6H,1-3,7-8,14H2
InChIKeyICCVFKMGHMXRIM-UHFFFAOYSA-N
XLogP1.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-piperidin-1-ylisoindole-1,3-dione?
The IUPAC name of 4-amino-2-piperidin-1-ylisoindole-1,3-dione (CID 83026584) is 4-amino-2-piperidin-1-ylisoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-piperidin-1-ylisoindole-1,3-dione?
The canonical SMILES for 4-amino-2-piperidin-1-ylisoindole-1,3-dione is Nc1cccc2c1C(=O)N(N1CCCCC1)C2=O.
What is the InChIKey of 4-amino-2-piperidin-1-ylisoindole-1,3-dione?
The InChIKey is ICCVFKMGHMXRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-10-6-4-5-9-11(10)13(18)16(12(9)17)15-7-2-1-3-8-15/h4-6H,1-3,7-8,14H2.
What are the key properties of 4-amino-2-piperidin-1-ylisoindole-1,3-dione?
4-amino-2-piperidin-1-ylisoindole-1,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-piperidin-1-ylisoindole-1,3-dione is sourced from PubChem (CID 83026584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).