bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate

C28H48N2O6 — CID 15019922

IUPACbis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C28H48N2O6/c1-19(31)29-25(3,4)15-21(16-26(29,5)6)35-23(33)13-11-12-14-24(34)36-22-17-27(7,8)30(20(2)32)28(9,10)18-22/h21-22H,11-18H2,1-10H3
InChIKeyHZVWDZVPGODNEB-UHFFFAOYSA-N
MW508.70 g/mol
LogP4.77
Rot. Bonds7

About bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate

bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate (PubChem CID 15019922) has the molecular formula C28H48N2O6 and a molecular weight of 508.70 g/mol. Its IUPAC name is bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate.

Molecular Properties

Compound Namebis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
PubChem CID15019922
Molecular FormulaC28H48N2O6
Molecular Weight508.70 g/mol
Exact Mass508.35
IUPAC Namebis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C28H48N2O6/c1-19(31)29-25(3,4)15-21(16-26(29,5)6)35-23(33)13-11-12-14-24(34)36-22-17-27(7,8)30(20(2)32)28(9,10)18-22/h21-22H,11-18H2,1-10H3
InChIKeyHZVWDZVPGODNEB-UHFFFAOYSA-N
XLogP4.77
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.70
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate
CID 154095957
bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate
CID 54027959
CID 101128218
CID 101128218
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate
CID 126595053

Frequently Asked Questions

What is the IUPAC name of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The IUPAC name of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate (CID 15019922) is bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate.
What is the SMILES notation for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The canonical SMILES for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate is CC(=O)N1C(C)(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
The InChIKey is HZVWDZVPGODNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O6/c1-19(31)29-25(3,4)15-21(16-26(29,5)6)35-23(33)13-11-12-14-24(34)36-22-17-27(7,8)30(20(2)32)28(9,10)18-22/h21-22H,11-18H2,1-10H3.
What are the key properties of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate?
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate has a molecular weight of 508.70 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate is sourced from PubChem (CID 15019922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).