bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate

C35H64N4O8 — CID 19892356

IUPACbis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate
SMILESCCCCNC(=O)ON1C(C)(C)CC(OC(=O)C(CCCC)C(=O)OC2CC(C)(C)N(OC(=O)NCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C35H64N4O8/c1-12-15-18-27(28(40)44-25-21-32(4,5)38(33(6,7)22-25)46-30(42)36-19-16-13-2)29(41)45-26-23-34(8,9)39(35(10,11)24-26)47-31(43)37-20-17-14-3/h25-27H,12-24H2,1-11H3,(H,36,42)(H,37,43)
InChIKeyNHJLXCFKXRPTKR-UHFFFAOYSA-N
MW668.92 g/mol
LogP6.80
Rot. Bonds15

About bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate

bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate (PubChem CID 19892356) has the molecular formula C35H64N4O8 and a molecular weight of 668.92 g/mol. Its IUPAC name is bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate.

Molecular Properties

Compound Namebis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate
PubChem CID19892356
Molecular FormulaC35H64N4O8
Molecular Weight668.92 g/mol
Exact Mass668.47
IUPAC Namebis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate
SMILESCCCCNC(=O)ON1C(C)(C)CC(OC(=O)C(CCCC)C(=O)OC2CC(C)(C)N(OC(=O)NCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C35H64N4O8/c1-12-15-18-27(28(40)44-25-21-32(4,5)38(33(6,7)22-25)46-30(42)36-19-16-13-2)29(41)45-26-23-34(8,9)39(35(10,11)24-26)47-31(43)37-20-17-14-3/h25-27H,12-24H2,1-11H3,(H,36,42)(H,37,43)
InChIKeyNHJLXCFKXRPTKR-UHFFFAOYSA-N
XLogP6.80
TPSA135.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.92
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
CID 20778574
(2,2,6,6-tetramethylpiperidin-1-yl) N-hexylcarbamate
CID 141397797
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
CID 54571044
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 167105370
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
CID 20792531
cyclopropyl N-butylcarbamate
CID 165447718
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate
CID 70965524
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746

Frequently Asked Questions

What is the IUPAC name of bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate?
The IUPAC name of bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate (CID 19892356) is bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate.
What is the SMILES notation for bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate?
The canonical SMILES for bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate is CCCCNC(=O)ON1C(C)(C)CC(OC(=O)C(CCCC)C(=O)OC2CC(C)(C)N(OC(=O)NCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate?
The InChIKey is NHJLXCFKXRPTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64N4O8/c1-12-15-18-27(28(40)44-25-21-32(4,5)38(33(6,7)22-25)46-30(42)36-19-16-13-2)29(41)45-26-23-34(8,9)39(35(10,11)24-26)47-31(43)37-20-17-14-3/h25-27H,12-24H2,1-11H3,(H,36,42)(H,37,43).
What are the key properties of bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate?
bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate has a molecular weight of 668.92 g/mol, XLogP of 6.80, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate is sourced from PubChem (CID 19892356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).