2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione

C24H29N3O4 — CID 86729180

IUPAC2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione
SMILESCC1(C)CCCC(C)(C)N1OCc1cncc(CON2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H29N3O4/c1-23(2)10-7-11-24(3,4)27(23)31-16-18-12-17(13-25-14-18)15-30-26-21(28)19-8-5-6-9-20(19)22(26)29/h5-6,8-9,12-14H,7,10-11,15-16H2,1-4H3
InChIKeyRASVSXXRTAPHRB-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.28
Rot. Bonds6

About 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione

2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione (PubChem CID 86729180) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione
PubChem CID86729180
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione
SMILESCC1(C)CCCC(C)(C)N1OCc1cncc(CON2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H29N3O4/c1-23(2)10-7-11-24(3,4)27(23)31-16-18-12-17(13-25-14-18)15-30-26-21(28)19-8-5-6-9-20(19)22(26)29/h5-6,8-9,12-14H,7,10-11,15-16H2,1-4H3
InChIKeyRASVSXXRTAPHRB-UHFFFAOYSA-N
XLogP4.28
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione (CID 86729180) is 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione is CC1(C)CCCC(C)(C)N1OCc1cncc(CON2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione?
The InChIKey is RASVSXXRTAPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-23(2)10-7-11-24(3,4)27(23)31-16-18-12-17(13-25-14-18)15-30-26-21(28)19-8-5-6-9-20(19)22(26)29/h5-6,8-9,12-14H,7,10-11,15-16H2,1-4H3.
What are the key properties of 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione?
2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione has a molecular weight of 423.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-pyridinyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 86729180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).