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

C15H17N3O2 — CID 69051360

IUPAC3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione
SMILESCNCc1cccc2cn(C3CCC(=O)NC3=O)cc12
InChIInChI=1S/C15H17N3O2/c1-16-7-10-3-2-4-11-8-18(9-12(10)11)13-5-6-14(19)17-15(13)20/h2-4,8-9,13,16H,5-7H2,1H3,(H,17,19,20)
InChIKeyZORCPQIMUBDMAW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.34
Rot. Bonds3

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

3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione (PubChem CID 69051360) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione
PubChem CID69051360
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione
SMILESCNCc1cccc2cn(C3CCC(=O)NC3=O)cc12
InChIInChI=1S/C15H17N3O2/c1-16-7-10-3-2-4-11-8-18(9-12(10)11)13-5-6-14(19)17-15(13)20/h2-4,8-9,13,16H,5-7H2,1H3,(H,17,19,20)
InChIKeyZORCPQIMUBDMAW-UHFFFAOYSA-N
XLogP1.34
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.34
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-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione (CID 69051360) is 3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione is CNCc1cccc2cn(C3CCC(=O)NC3=O)cc12.
What is the InChIKey of 3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZORCPQIMUBDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-7-10-3-2-4-11-8-18(9-12(10)11)13-5-6-14(19)17-15(13)20/h2-4,8-9,13,16H,5-7H2,1H3,(H,17,19,20).
What are the key properties of 3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione?
3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 271.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylaminomethyl)isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 69051360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).