3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C19H26N4O3 — CID 167722576

About 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167722576) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167722576
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(CCCN)NCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C19H26N4O3/c1-12(4-3-9-20)21-10-13-5-2-6-14-15(13)11-23(19(14)26)16-7-8-17(24)22-18(16)25/h2,5-6,12,16,21H,3-4,7-11,20H2,1H3,(H,22,24,25)
• InChIKey: SFCZVNMJWWROKW-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	0.66
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-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167722576) is 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(CCCN)NCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is SFCZVNMJWWROKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(4-3-9-20)21-10-13-5-2-6-14-15(13)11-23(19(14)26)16-7-8-17(24)22-18(16)25/h2,5-6,12,16,21H,3-4,7-11,20H2,1H3,(H,22,24,25).

What are the key properties of 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 358.44 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[(5-aminopentan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167722576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).