2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione

C15H19N3O2 — CID 79699723

IUPAC2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCC3CCNCC3)cc2C1=O
InChIInChI=1S/C15H19N3O2/c1-18-14(19)12-3-2-11(8-13(12)15(18)20)17-9-10-4-6-16-7-5-10/h2-3,8,10,16-17H,4-7,9H2,1H3
InChIKeyKKAYLVMUOHDXOU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.32
Rot. Bonds3

About 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione

2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione (PubChem CID 79699723) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
PubChem CID79699723
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCC3CCNCC3)cc2C1=O
InChIInChI=1S/C15H19N3O2/c1-18-14(19)12-3-2-11(8-13(12)15(18)20)17-9-10-4-6-16-7-5-10/h2-3,8,10,16-17H,4-7,9H2,1H3
InChIKeyKKAYLVMUOHDXOU-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.32
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 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione (CID 79699723) is 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione is CN1C(=O)c2ccc(NCC3CCNCC3)cc2C1=O.
What is the InChIKey of 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione?
The InChIKey is KKAYLVMUOHDXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-14(19)12-3-2-11(8-13(12)15(18)20)17-9-10-4-6-16-7-5-10/h2-3,8,10,16-17H,4-7,9H2,1H3.
What are the key properties of 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione?
2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione has a molecular weight of 273.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione is sourced from PubChem (CID 79699723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).