N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride

C25H35ClN4O7 — CID 155292685

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride (PubChem CID 155292685) has the molecular formula C25H35ClN4O7 and a molecular weight of 539.03 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride
• PubChem CID: 155292685
• Molecular Formula: C25H35ClN4O7
• Molecular Weight: 539.03 g/mol
• Exact Mass: 538.22
• IUPAC Name: N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride
• SMILES: Cl.O=C1CCC(N2Cc3c(NC(=O)CCOCCOCCOC4CCNCC4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C25H34N4O7.ClH/c30-22-5-4-21(24(32)28-22)29-16-19-18(25(29)33)2-1-3-20(19)27-23(31)8-11-34-12-13-35-14-15-36-17-6-9-26-10-7-17;/h1-3,17,21,26H,4-16H2,(H,27,31)(H,28,30,32);1H
• InChIKey: WJJMZVCAZJNZBG-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 135.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.03
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride?

The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride (CID 155292685) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride.

What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride?

The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride is Cl.O=C1CCC(N2Cc3c(NC(=O)CCOCCOCCOC4CCNCC4)cccc3C2=O)C(=O)N1.

What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride?

The InChIKey is WJJMZVCAZJNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O7.ClH/c30-22-5-4-21(24(32)28-22)29-16-19-18(25(29)33)2-1-3-20(19)27-23(31)8-11-34-12-13-35-14-15-36-17-6-9-26-10-7-17;/h1-3,17,21,26H,4-16H2,(H,27,31)(H,28,30,32);1H.

What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride?

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride has a molecular weight of 539.03 g/mol, XLogP of 1.00, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride is sourced from PubChem (CID 155292685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).