3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H30N4O3 — CID 167742011

About 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167742011) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167742011
• Molecular Formula: C23H30N4O3
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.23
• IUPAC Name: 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: NC(CNCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C12CCC(CC1)C2
• InChI: InChI=1S/C23H30N4O3/c24-19(23-8-6-14(10-23)7-9-23)12-25-11-15-2-1-3-16-17(15)13-27(22(16)30)18-4-5-20(28)26-21(18)29/h1-3,14,18-19,25H,4-13,24H2,(H,26,28,29)
• InChIKey: ZYRDJRBKWKLBMO-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167742011) is 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NC(CNCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C12CCC(CC1)C2.

What is the InChIKey of 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ZYRDJRBKWKLBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c24-19(23-8-6-14(10-23)7-9-23)12-25-11-15-2-1-3-16-17(15)13-27(22(16)30)18-4-5-20(28)26-21(18)29/h1-3,14,18-19,25H,4-13,24H2,(H,26,28,29).

What are the key properties of 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 410.52 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[[2-amino-2-(1-bicyclo[2.2.1]heptanyl)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167742011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).