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

C61H112N10O4 — CID 123986630

IUPAC3,9-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
SMILESCC1(C)CC(N2CN3C(=O)N4CN(C5CC(C)(C)NC(C)(C)C5)CN5C(=O)N(C2)C3C45)CC(C)(C)N1.CCCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C
InChIInChI=1S/C35H66N2O2.C26H46N8O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2)25-31-29(3)32(38)37(33(31)39)30-26-34(4,5)36-35(6,7)27-30;1-23(2)9-17(10-24(3,4)27-23)29-13-31-19-20-33(21(31)35)15-30(16-34(20)22(36)32(19)14-29)18-11-25(5,6)28-26(7,8)12-18/h28-31,36H,8-27H2,1-7H3;17-20,27-28H,9-16H2,1-8H3
InChIKeyFQQCLDIXNVJATR-UHFFFAOYSA-N
MW1049.63 g/mol
LogP11.79
Rot. Bonds22

About 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

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 (PubChem CID 123986630) has the molecular formula C61H112N10O4 and a molecular weight of 1049.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,9-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
PubChem CID123986630
Molecular FormulaC61H112N10O4
Molecular Weight1049.63 g/mol
Exact Mass1048.89
IUPAC Name3,9-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
SMILESCC1(C)CC(N2CN3C(=O)N4CN(C5CC(C)(C)NC(C)(C)C5)CN5C(=O)N(C2)C3C45)CC(C)(C)N1.CCCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C
InChIInChI=1S/C35H66N2O2.C26H46N8O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2)25-31-29(3)32(38)37(33(31)39)30-26-34(4,5)36-35(6,7)27-30;1-23(2)9-17(10-24(3,4)27-23)29-13-31-19-20-33(21(31)35)15-30(16-34(20)22(36)32(19)14-29)18-11-25(5,6)28-26(7,8)12-18/h28-31,36H,8-27H2,1-7H3;17-20,27-28H,9-16H2,1-8H3
InChIKeyFQQCLDIXNVJATR-UHFFFAOYSA-N
XLogP11.79
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.63
LogP ≤ 511.79
H-Bond Donors ≤ 53
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(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 with MolForge

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Related Compounds

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
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
3-[[6-[1-[[(3R)-1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]piperidin-3-yl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide
CID 162453435
3-[[2-[4-[[(3R)-1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-5-yl]pyrrolidin-3-yl]methyl]piperazin-1-yl]-1,3-diazinan-5-yl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide
CID 162453438

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(N2CN3C(=O)N4CN(C5CC(C)(C)NC(C)(C)C5)CN5C(=O)N(C2)C3C45)CC(C)(C)N1.CCCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C.
What is the InChIKey of 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?
The InChIKey is FQQCLDIXNVJATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66N2O2.C26H46N8O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2)25-31-29(3)32(38)37(33(31)39)30-26-34(4,5)36-35(6,7)27-30;1-23(2)9-17(10-24(3,4)27-23)29-13-31-19-20-33(21(31)35)15-30(16-34(20)22(36)32(19)14-29)18-11-25(5,6)28-26(7,8)12-18/h28-31,36H,8-27H2,1-7H3;17-20,27-28H,9-16H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1049.63 g/mol, XLogP of 11.79, 22 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123986630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).