bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate

C95H177N7O12 — CID 158514926

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCC(=O)OC1CC(C)(C)NC(C)(C)C1.CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O4.C28H52N2O4.C25H46N2O2.C12H23NO2/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24;1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-6-10(14)15-9-7-11(2,3)13-12(4,5)8-9/h23-24H,11-22H2,1-10H3;21-22,29-30H,9-20H2,1-8H3;20-21,26H,6-19H2,1-5H3;9,13H,6-8H2,1-5H3
InChIKeyPGRQDVNXAMUAGE-UHFFFAOYSA-N
MW1609.50 g/mol
LogP20.54
Rot. Bonds36

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate (PubChem CID 158514926) has the molecular formula C95H177N7O12 and a molecular weight of 1609.50 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate
PubChem CID158514926
Molecular FormulaC95H177N7O12
Molecular Weight1609.50 g/mol
Exact Mass1608.35
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCC(=O)OC1CC(C)(C)NC(C)(C)C1.CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O4.C28H52N2O4.C25H46N2O2.C12H23NO2/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24;1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-6-10(14)15-9-7-11(2,3)13-12(4,5)8-9/h23-24H,11-22H2,1-10H3;21-22,29-30H,9-20H2,1-8H3;20-21,26H,6-19H2,1-5H3;9,13H,6-8H2,1-5H3
InChIKeyPGRQDVNXAMUAGE-UHFFFAOYSA-N
XLogP20.54
TPSA223.48 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms114
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.50
LogP ≤ 520.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate (CID 158514926) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCC(=O)OC1CC(C)(C)NC(C)(C)C1.CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate?
The InChIKey is PGRQDVNXAMUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O4.C28H52N2O4.C25H46N2O2.C12H23NO2/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24;1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-6-10(14)15-9-7-11(2,3)13-12(4,5)8-9/h23-24H,11-22H2,1-10H3;21-22,29-30H,9-20H2,1-8H3;20-21,26H,6-19H2,1-5H3;9,13H,6-8H2,1-5H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate has a molecular weight of 1609.50 g/mol, XLogP of 20.54, 36 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;(2,2,6,6-tetramethylpiperidin-4-yl) propanoate is sourced from PubChem (CID 158514926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).