dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate

C43H66N2O4 — CID 18358563

IUPACdibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate
SMILESCCC1(C)CC(C(C(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)C2CC(C)(CC)N(C)C(C)(CC)C2C)C(C)C(C)(CC)N1C
InChIInChI=1S/C43H66N2O4/c1-13-39(7)27-35(31(5)41(9,15-3)44(39)11)43(37(46)48-29-33-23-19-17-20-24-33,38(47)49-30-34-25-21-18-22-26-34)36-28-40(8,14-2)45(12)42(10,16-4)32(36)6/h17-26,31-32,35-36H,13-16,27-30H2,1-12H3
InChIKeyUWXAVEWZVXIZTQ-UHFFFAOYSA-N
MW675.01 g/mol
LogP9.31
Rot. Bonds12

About dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate

dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate (PubChem CID 18358563) has the molecular formula C43H66N2O4 and a molecular weight of 675.01 g/mol. Its IUPAC name is dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate.

Molecular Properties

Compound Namedibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate
PubChem CID18358563
Molecular FormulaC43H66N2O4
Molecular Weight675.01 g/mol
Exact Mass674.50
IUPAC Namedibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate
SMILESCCC1(C)CC(C(C(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)C2CC(C)(CC)N(C)C(C)(CC)C2C)C(C)C(C)(CC)N1C
InChIInChI=1S/C43H66N2O4/c1-13-39(7)27-35(31(5)41(9,15-3)44(39)11)43(37(46)48-29-33-23-19-17-20-24-33,38(47)49-30-34-25-21-18-22-26-34)36-28-40(8,14-2)45(12)42(10,16-4)32(36)6/h17-26,31-32,35-36H,13-16,27-30H2,1-12H3
InChIKeyUWXAVEWZVXIZTQ-UHFFFAOYSA-N
XLogP9.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.01
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-O-benzyl 1-O-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) 2-benzyl-2-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate
CID 70150593
2-(3,4-dibenzyl-2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-2-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioic acid
CID 70509178
1-O-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) 3-O-(2,6-diethyl-1,2,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-phenylpropanedioate
CID 89252886
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate
CID 134421625
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
CID 174747331
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
benzyl (1R,2R,3S,5R)-5-(2-chloropropan-2-yl)-3-hydroxy-2,3-dimethylcyclopentane-1-carboxylate
CID 10544011
6-[carboxy-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)carbamic acid
CID 21330418
CID 58946341
CID 58946341

Frequently Asked Questions

What is the IUPAC name of dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate?
The IUPAC name of dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate (CID 18358563) is dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate.
What is the SMILES notation for dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate?
The canonical SMILES for dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate is CCC1(C)CC(C(C(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)C2CC(C)(CC)N(C)C(C)(CC)C2C)C(C)C(C)(CC)N1C.
What is the InChIKey of dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate?
The InChIKey is UWXAVEWZVXIZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H66N2O4/c1-13-39(7)27-35(31(5)41(9,15-3)44(39)11)43(37(46)48-29-33-23-19-17-20-24-33,38(47)49-30-34-25-21-18-22-26-34)36-28-40(8,14-2)45(12)42(10,16-4)32(36)6/h17-26,31-32,35-36H,13-16,27-30H2,1-12H3.
What are the key properties of dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate?
dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate has a molecular weight of 675.01 g/mol, XLogP of 9.31, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate is sourced from PubChem (CID 18358563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).