2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione

C26H30N2O7 — CID 164622079

IUPAC2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
SMILESO=C1NCCCC1N1C(=O)c2cccc(OCCOCCOCCOCc3ccccc3)c2C1=O
InChIInChI=1S/C26H30N2O7/c29-24-21(9-5-11-27-24)28-25(30)20-8-4-10-22(23(20)26(28)31)35-17-16-33-13-12-32-14-15-34-18-19-6-2-1-3-7-19/h1-4,6-8,10,21H,5,9,11-18H2,(H,27,29)
InChIKeyGRPCVZIUVZCWGX-UHFFFAOYSA-N
MW482.53 g/mol
LogP2.19
Rot. Bonds13

About 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione

2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 164622079) has the molecular formula C26H30N2O7 and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID164622079
Molecular FormulaC26H30N2O7
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
SMILESO=C1NCCCC1N1C(=O)c2cccc(OCCOCCOCCOCc3ccccc3)c2C1=O
InChIInChI=1S/C26H30N2O7/c29-24-21(9-5-11-27-24)28-25(30)20-8-4-10-22(23(20)26(28)31)35-17-16-33-13-12-32-14-15-34-18-19-6-2-1-3-7-19/h1-4,6-8,10,21H,5,9,11-18H2,(H,27,29)
InChIKeyGRPCVZIUVZCWGX-UHFFFAOYSA-N
XLogP2.19
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione (CID 164622079) is 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione is O=C1NCCCC1N1C(=O)c2cccc(OCCOCCOCCOCc3ccccc3)c2C1=O.
What is the InChIKey of 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is GRPCVZIUVZCWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O7/c29-24-21(9-5-11-27-24)28-25(30)20-8-4-10-22(23(20)26(28)31)35-17-16-33-13-12-32-14-15-34-18-19-6-2-1-3-7-19/h1-4,6-8,10,21H,5,9,11-18H2,(H,27,29).
What are the key properties of 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione?
2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 482.53 g/mol, XLogP of 2.19, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 164622079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).