bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate

C22H38N2O6-2 — CID 140896714

IUPACbis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate
SMILESCC1(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C22H38N2O6/c1-19(2)11-15(12-20(3,4)23(19)27)29-17(25)9-10-18(26)30-16-13-21(5,6)24(28)22(7,8)14-16/h15-16H,9-14H2,1-8H3/q-2
InChIKeyGSNDBMNKSLFPGQ-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.89
Rot. Bonds5

About bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate

bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate (PubChem CID 140896714) has the molecular formula C22H38N2O6-2 and a molecular weight of 426.55 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate
PubChem CID140896714
Molecular FormulaC22H38N2O6-2
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC Namebis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate
SMILESCC1(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C22H38N2O6/c1-19(2)11-15(12-20(3,4)23(19)27)29-17(25)9-10-18(26)30-16-13-21(5,6)24(28)22(7,8)14-16/h15-16H,9-14H2,1-8H3/q-2
InChIKeyGSNDBMNKSLFPGQ-UHFFFAOYSA-N
XLogP3.89
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate?
The IUPAC name of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate (CID 140896714) is bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate is CC1(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-].
What is the InChIKey of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate?
The InChIKey is GSNDBMNKSLFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O6/c1-19(2)11-15(12-20(3,4)23(19)27)29-17(25)9-10-18(26)30-16-13-21(5,6)24(28)22(7,8)14-16/h15-16H,9-14H2,1-8H3/q-2.
What are the key properties of bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate?
bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate has a molecular weight of 426.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) butanedioate is sourced from PubChem (CID 140896714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).