3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

C54H98N10O4 — CID 91496507

IUPAC3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.CN1C(C)(C)CC(N2CN3C(=O)N4CN(C5CC(C)(C)N(C)C(C)(C)C5)CN5C(=O)N(C2)C3C45)CC1(C)C
InChIInChI=1S/C28H50N8O2.C26H48N2O2/c1-25(2)11-19(12-26(3,4)29(25)9)31-15-33-21-22-35(23(33)37)17-32(18-36(22)24(38)34(21)16-31)20-13-27(5,6)30(10)28(7,8)14-20;1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h19-22H,11-18H2,1-10H3;21-22H,7-20H2,1-6H3
InChIKeyHIZHTOQQVUXOAO-UHFFFAOYSA-N
MW951.44 g/mol
LogP9.20
Rot. Bonds14

About 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 91496507) has the molecular formula C54H98N10O4 and a molecular weight of 951.44 g/mol. Its IUPAC name is 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID91496507
Molecular FormulaC54H98N10O4
Molecular Weight951.44 g/mol
Exact Mass950.78
IUPAC Name3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.CN1C(C)(C)CC(N2CN3C(=O)N4CN(C5CC(C)(C)N(C)C(C)(C)C5)CN5C(=O)N(C2)C3C45)CC1(C)C
InChIInChI=1S/C28H50N8O2.C26H48N2O2/c1-25(2)11-19(12-26(3,4)29(25)9)31-15-33-21-22-35(23(33)37)17-32(18-36(22)24(38)34(21)16-31)20-13-27(5,6)30(10)28(7,8)14-20;1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h19-22H,11-18H2,1-10H3;21-22H,7-20H2,1-6H3
InChIKeyHIZHTOQQVUXOAO-UHFFFAOYSA-N
XLogP9.20
TPSA100.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.44
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

3,9-Bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 123986630
3,9-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide;3-methyl-4-(2-methylbutyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 161129193

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 91496507) is 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.CN1C(C)(C)CC(N2CN3C(=O)N4CN(C5CC(C)(C)N(C)C(C)(C)C5)CN5C(=O)N(C2)C3C45)CC1(C)C.
What is the InChIKey of 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is HIZHTOQQVUXOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N8O2.C26H48N2O2/c1-25(2)11-19(12-26(3,4)29(25)9)31-15-33-21-22-35(23(33)37)17-32(18-36(22)24(38)34(21)16-31)20-13-27(5,6)30(10)28(7,8)14-20;1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h19-22H,11-18H2,1-10H3;21-22H,7-20H2,1-6H3.
What are the key properties of 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 951.44 g/mol, XLogP of 9.20, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione;3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 91496507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).