8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

C46H86N6O6 — CID 67745067

IUPAC8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC1(C)CC(C(=O)OCCCCCCCCOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C28H52N2O4.C18H34N4O2/c1-25(2)17-21(18-26(3,4)29-25)23(31)33-15-13-11-9-10-12-14-16-34-24(32)22-19-27(5,6)30-28(7,8)20-22;1-15(2)11-21(13(23)17(5,6)19-15)9-10-22-12-16(3,4)20-18(7,8)14(22)24/h21-22,29-30H,9-20H2,1-8H3;19-20H,9-12H2,1-8H3
InChIKeyHGRZVCGHRHFENV-UHFFFAOYSA-N
MW819.23 g/mol
LogP6.49
Rot. Bonds14

About 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 67745067) has the molecular formula C46H86N6O6 and a molecular weight of 819.23 g/mol. Its IUPAC name is 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID67745067
Molecular FormulaC46H86N6O6
Molecular Weight819.23 g/mol
Exact Mass818.66
IUPAC Name8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC1(C)CC(C(=O)OCCCCCCCCOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C28H52N2O4.C18H34N4O2/c1-25(2)17-21(18-26(3,4)29-25)23(31)33-15-13-11-9-10-12-14-16-34-24(32)22-19-27(5,6)30-28(7,8)20-22;1-15(2)11-21(13(23)17(5,6)19-15)9-10-22-12-16(3,4)20-18(7,8)14(22)24/h21-22,29-30H,9-20H2,1-8H3;19-20H,9-12H2,1-8H3
InChIKeyHGRZVCGHRHFENV-UHFFFAOYSA-N
XLogP6.49
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.23
LogP ≤ 56.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 67745067) is 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is CC1(C)CC(C(=O)OCCCCCCCCOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1.
What is the InChIKey of 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is HGRZVCGHRHFENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4.C18H34N4O2/c1-25(2)17-21(18-26(3,4)29-25)23(31)33-15-13-11-9-10-12-14-16-34-24(32)22-19-27(5,6)30-28(7,8)20-22;1-15(2)11-21(13(23)17(5,6)19-15)9-10-22-12-16(3,4)20-18(7,8)14(22)24/h21-22,29-30H,9-20H2,1-8H3;19-20H,9-12H2,1-8H3.
What are the key properties of 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 819.23 g/mol, XLogP of 6.49, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 67745067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).