6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one

C15H22N4O — CID 82891912

IUPAC6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
SMILESCN1CCN(CCN2Cc3ccc(N)cc3C2=O)CC1
InChIInChI=1S/C15H22N4O/c1-17-4-6-18(7-5-17)8-9-19-11-12-2-3-13(16)10-14(12)15(19)20/h2-3,10H,4-9,11,16H2,1H3
InChIKeySLNQYKZGLOZEBB-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.47
Rot. Bonds3

About 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one

6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one (PubChem CID 82891912) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
PubChem CID82891912
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
SMILESCN1CCN(CCN2Cc3ccc(N)cc3C2=O)CC1
InChIInChI=1S/C15H22N4O/c1-17-4-6-18(7-5-17)8-9-19-11-12-2-3-13(16)10-14(12)15(19)20/h2-3,10H,4-9,11,16H2,1H3
InChIKeySLNQYKZGLOZEBB-UHFFFAOYSA-N
XLogP0.47
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one?
The IUPAC name of 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one (CID 82891912) is 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one is CN1CCN(CCN2Cc3ccc(N)cc3C2=O)CC1.
What is the InChIKey of 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one?
The InChIKey is SLNQYKZGLOZEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17-4-6-18(7-5-17)8-9-19-11-12-2-3-13(16)10-14(12)15(19)20/h2-3,10H,4-9,11,16H2,1H3.
What are the key properties of 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one?
6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one has a molecular weight of 274.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 82891912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).