(3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

C26H48N2O2 — CID 98053180

IUPAC(3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCC[C@H]1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C26H48N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h21-22H,7-20H2,1-6H3/t21-/m0/s1
InChIKeySAEZGDDJKSBNPT-NRFANRHFSA-N
MW420.68 g/mol
LogP6.32
Rot. Bonds12

About (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

(3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 98053180) has the molecular formula C26H48N2O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID98053180
Molecular FormulaC26H48N2O2
Molecular Weight420.68 g/mol
Exact Mass420.37
IUPAC Name(3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCC[C@H]1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C26H48N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h21-22H,7-20H2,1-6H3/t21-/m0/s1
InChIKeySAEZGDDJKSBNPT-NRFANRHFSA-N
XLogP6.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 98053180) is (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCC[C@H]1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is SAEZGDDJKSBNPT-NRFANRHFSA-N. The full InChI is InChI=1S/C26H48N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h21-22H,7-20H2,1-6H3/t21-/m0/s1.
What are the key properties of (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
(3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 420.68 g/mol, XLogP of 6.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98053180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).