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

C34H66N4O4 — CID 21330418

IUPAC6-[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
SMILESCCC1(C)CC(N(CCCCCCN(C(=O)O)C2CC(C)(CC)N(C)C(C)(CC)C2C)C(=O)O)C(C)C(C)(CC)N1C
InChIInChI=1S/C34H66N4O4/c1-13-31(7)23-27(25(5)33(9,15-3)35(31)11)37(29(39)40)21-19-17-18-20-22-38(30(41)42)28-24-32(8,14-2)36(12)34(10,16-4)26(28)6/h25-28H,13-24H2,1-12H3,(H,39,40)(H,41,42)
InChIKeyOPQXMCARNGNXNL-UHFFFAOYSA-N
MW594.93 g/mol
LogP7.86
Rot. Bonds13

About 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

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 (PubChem CID 21330418) has the molecular formula C34H66N4O4 and a molecular weight of 594.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID21330418
Molecular FormulaC34H66N4O4
Molecular Weight594.93 g/mol
Exact Mass594.51
IUPAC Name6-[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
SMILESCCC1(C)CC(N(CCCCCCN(C(=O)O)C2CC(C)(CC)N(C)C(C)(CC)C2C)C(=O)O)C(C)C(C)(CC)N1C
InChIInChI=1S/C34H66N4O4/c1-13-31(7)23-27(25(5)33(9,15-3)35(31)11)37(29(39)40)21-19-17-18-20-22-38(30(41)42)28-24-32(8,14-2)36(12)34(10,16-4)26(28)6/h25-28H,13-24H2,1-12H3,(H,39,40)(H,41,42)
InChIKeyOPQXMCARNGNXNL-UHFFFAOYSA-N
XLogP7.86
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.93
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(C)CC(N(CCCCCCN(C(=O)O)C2CC(C)(CC)N(C)C(C)(CC)C2C)C(=O)O)C(C)C(C)(CC)N1C.
What is the InChIKey of 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?
The InChIKey is OPQXMCARNGNXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N4O4/c1-13-31(7)23-27(25(5)33(9,15-3)35(31)11)37(29(39)40)21-19-17-18-20-22-38(30(41)42)28-24-32(8,14-2)36(12)34(10,16-4)26(28)6/h25-28H,13-24H2,1-12H3,(H,39,40)(H,41,42).
What are the key properties of 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?
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 has a molecular weight of 594.93 g/mol, XLogP of 7.86, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21330418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).