3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione

C28H52N2O3 — CID 23450606

IUPAC3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OCCC)C(C)(C)C2)C1=O
InChIInChI=1S/C28H52N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-23-20-25(31)29(26(23)32)24-21-27(3,4)30(33-19-8-2)28(5,6)22-24/h23-24H,7-22H2,1-6H3
InChIKeyMRAOQJCHYINWOE-UHFFFAOYSA-N
MW464.74 g/mol
LogP7.04
Rot. Bonds15

About 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione

3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 23450606) has the molecular formula C28H52N2O3 and a molecular weight of 464.74 g/mol. Its IUPAC name is 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID23450606
Molecular FormulaC28H52N2O3
Molecular Weight464.74 g/mol
Exact Mass464.40
IUPAC Name3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OCCC)C(C)(C)C2)C1=O
InChIInChI=1S/C28H52N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-23-20-25(31)29(26(23)32)24-21-27(3,4)30(33-19-8-2)28(5,6)22-24/h23-24H,7-22H2,1-6H3
InChIKeyMRAOQJCHYINWOE-UHFFFAOYSA-N
XLogP7.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione (CID 23450606) is 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OCCC)C(C)(C)C2)C1=O.
What is the InChIKey of 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is MRAOQJCHYINWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-23-20-25(31)29(26(23)32)24-21-27(3,4)30(33-19-8-2)28(5,6)22-24/h23-24H,7-22H2,1-6H3.
What are the key properties of 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione?
3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 464.74 g/mol, XLogP of 7.04, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 23450606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).