methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate

C28H54N4O4 — CID 11113943

IUPACmethyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
SMILESCOC(=O)N(CCCCCCN(C(=O)OC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H54N4O4/c1-25(2)17-21(18-26(3,4)29-25)31(23(33)35-9)15-13-11-12-14-16-32(24(34)36-10)22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,11-20H2,1-10H3
InChIKeyLJEYRILFGBAPOD-UHFFFAOYSA-N
MW510.76 g/mol
LogP5.30
Rot. Bonds9

About methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate

methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate (PubChem CID 11113943) has the molecular formula C28H54N4O4 and a molecular weight of 510.76 g/mol. Its IUPAC name is methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
PubChem CID11113943
Molecular FormulaC28H54N4O4
Molecular Weight510.76 g/mol
Exact Mass510.41
IUPAC Namemethyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
SMILESCOC(=O)N(CCCCCCN(C(=O)OC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H54N4O4/c1-25(2)17-21(18-26(3,4)29-25)31(23(33)35-9)15-13-11-12-14-16-32(24(34)36-10)22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,11-20H2,1-10H3
InChIKeyLJEYRILFGBAPOD-UHFFFAOYSA-N
XLogP5.30
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.76
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The IUPAC name of methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate (CID 11113943) is methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate.
What is the SMILES notation for methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The canonical SMILES for methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate is COC(=O)N(CCCCCCN(C(=O)OC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The InChIKey is LJEYRILFGBAPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O4/c1-25(2)17-21(18-26(3,4)29-25)31(23(33)35-9)15-13-11-12-14-16-32(24(34)36-10)22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,11-20H2,1-10H3.
What are the key properties of methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate has a molecular weight of 510.76 g/mol, XLogP of 5.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate is sourced from PubChem (CID 11113943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).