1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione

C27H42N4O4 — CID 161015472

IUPAC1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione
SMILESCC1(C)CC(N2C(=O)C=CC2=O)CC(C)(C)N1.CN1C(C)(C)CC(N2C(=O)C=CC2=O)CC1(C)C
InChIInChI=1S/C14H22N2O2.C13H20N2O2/c1-13(2)8-10(9-14(3,4)15(13)5)16-11(17)6-7-12(16)18;1-12(2)7-9(8-13(3,4)14-12)15-10(16)5-6-11(15)17/h6-7,10H,8-9H2,1-5H3;5-6,9,14H,7-8H2,1-4H3
InChIKeyTXQYLVZLHPJDKQ-UHFFFAOYSA-N
MW486.66 g/mol
LogP2.78
Rot. Bonds2

About 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione

1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione (PubChem CID 161015472) has the molecular formula C27H42N4O4 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione
PubChem CID161015472
Molecular FormulaC27H42N4O4
Molecular Weight486.66 g/mol
Exact Mass486.32
IUPAC Name1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione
SMILESCC1(C)CC(N2C(=O)C=CC2=O)CC(C)(C)N1.CN1C(C)(C)CC(N2C(=O)C=CC2=O)CC1(C)C
InChIInChI=1S/C14H22N2O2.C13H20N2O2/c1-13(2)8-10(9-14(3,4)15(13)5)16-11(17)6-7-12(16)18;1-12(2)7-9(8-13(3,4)14-12)15-10(16)5-6-11(15)17/h6-7,10H,8-9H2,1-5H3;5-6,9,14H,7-8H2,1-4H3
InChIKeyTXQYLVZLHPJDKQ-UHFFFAOYSA-N
XLogP2.78
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione (CID 161015472) is 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione is CC1(C)CC(N2C(=O)C=CC2=O)CC(C)(C)N1.CN1C(C)(C)CC(N2C(=O)C=CC2=O)CC1(C)C.
What is the InChIKey of 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione?
The InChIKey is TXQYLVZLHPJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C13H20N2O2/c1-13(2)8-10(9-14(3,4)15(13)5)16-11(17)6-7-12(16)18;1-12(2)7-9(8-13(3,4)14-12)15-10(16)5-6-11(15)17/h6-7,10H,8-9H2,1-5H3;5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione?
1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione has a molecular weight of 486.66 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione is sourced from PubChem (CID 161015472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).