2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione

C15H19N3O2 — CID 79994387

IUPAC2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
SMILESCC1CC(N)CN(CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H19N3O2/c1-10-6-11(16)8-17(7-10)9-18-14(19)12-4-2-3-5-13(12)15(18)20/h2-5,10-11H,6-9,16H2,1H3
InChIKeyVNSOOAZBMOQFGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.91
Rot. Bonds2

About 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione

2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione (PubChem CID 79994387) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
PubChem CID79994387
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
SMILESCC1CC(N)CN(CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H19N3O2/c1-10-6-11(16)8-17(7-10)9-18-14(19)12-4-2-3-5-13(12)15(18)20/h2-5,10-11H,6-9,16H2,1H3
InChIKeyVNSOOAZBMOQFGB-UHFFFAOYSA-N
XLogP0.91
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
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-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione (CID 79994387) is 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione is CC1CC(N)CN(CN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The InChIKey is VNSOOAZBMOQFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-11(16)8-17(7-10)9-18-14(19)12-4-2-3-5-13(12)15(18)20/h2-5,10-11H,6-9,16H2,1H3.
What are the key properties of 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione?
2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione has a molecular weight of 273.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 79994387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).