1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate

C56H98N6O10 — CID 91331242

IUPAC1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(C(=O)CCCCCCCCC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.O=C(CC(C(=O)OC1CCNCC1)C(CC(=O)OC1CCNCC1)C(=O)OC1CCNCC1)OC1CCNCC1
InChIInChI=1S/C28H46N4O8.C28H52N2O2/c33-25(37-19-1-9-29-10-2-19)17-23(27(35)39-21-5-13-31-14-6-21)24(28(36)40-22-7-15-32-16-8-22)18-26(34)38-20-3-11-30-12-4-20;1-25(2)17-21(18-26(3,4)29-25)23(31)15-13-11-9-10-12-14-16-24(32)22-19-27(5,6)30-28(7,8)20-22/h19-24,29-32H,1-18H2;21-22,29-30H,9-20H2,1-8H3
InChIKeyBCYXPKUFYXGSCJ-UHFFFAOYSA-N
MW1015.43 g/mol
LogP6.54
Rot. Bonds22

About 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate

1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate (PubChem CID 91331242) has the molecular formula C56H98N6O10 and a molecular weight of 1015.43 g/mol. Its IUPAC name is 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Name1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate
PubChem CID91331242
Molecular FormulaC56H98N6O10
Molecular Weight1015.43 g/mol
Exact Mass1014.73
IUPAC Name1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(C(=O)CCCCCCCCC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.O=C(CC(C(=O)OC1CCNCC1)C(CC(=O)OC1CCNCC1)C(=O)OC1CCNCC1)OC1CCNCC1
InChIInChI=1S/C28H46N4O8.C28H52N2O2/c33-25(37-19-1-9-29-10-2-19)17-23(27(35)39-21-5-13-31-14-6-21)24(28(36)40-22-7-15-32-16-8-22)18-26(34)38-20-3-11-30-12-4-20;1-25(2)17-21(18-26(3,4)29-25)23(31)15-13-11-9-10-12-14-16-24(32)22-19-27(5,6)30-28(7,8)20-22/h19-24,29-32H,1-18H2;21-22,29-30H,9-20H2,1-8H3
InChIKeyBCYXPKUFYXGSCJ-UHFFFAOYSA-N
XLogP6.54
TPSA211.52 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001015.43
LogP ≤ 56.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

2-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
CID 58322136
2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate
CID 6365990
3-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,2-O-ditridecyl butane-1,2,3,4-tetracarboxylate
CID 58004425
1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
CID 70371998
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-10-oxodecanoate;(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxo-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoate
CID 160634307
tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
piperidin-4-yl pentanoate
CID 45091374
dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine
CID 174906692
[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl] carbamate
CID 152771245

Frequently Asked Questions

What is the IUPAC name of 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate?
The IUPAC name of 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate (CID 91331242) is 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate is CC1(C)CC(C(=O)CCCCCCCCC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.O=C(CC(C(=O)OC1CCNCC1)C(CC(=O)OC1CCNCC1)C(=O)OC1CCNCC1)OC1CCNCC1.
What is the InChIKey of 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate?
The InChIKey is BCYXPKUFYXGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N4O8.C28H52N2O2/c33-25(37-19-1-9-29-10-2-19)17-23(27(35)39-21-5-13-31-14-6-21)24(28(36)40-22-7-15-32-16-8-22)18-26(34)38-20-3-11-30-12-4-20;1-25(2)17-21(18-26(3,4)29-25)23(31)15-13-11-9-10-12-14-16-24(32)22-19-27(5,6)30-28(7,8)20-22/h19-24,29-32H,1-18H2;21-22,29-30H,9-20H2,1-8H3.
What are the key properties of 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate?
1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate has a molecular weight of 1015.43 g/mol, XLogP of 6.54, 22 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 91331242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).