[2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate

C37H65N3O6 — CID 139317505

IUPAC[2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
SMILESCN1C(C)(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)NC(C)(C)C3)C2OC(=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C37H65N3O6/c1-32(2)17-23(18-33(3,4)38-32)29(41)44-26-15-16-27(45-30(42)24-19-34(5,6)39(13)35(7,8)20-24)28(26)46-31(43)25-21-36(9,10)40(14)37(11,12)22-25/h23-28,38H,15-22H2,1-14H3
InChIKeyLICVJRGQWXZARN-UHFFFAOYSA-N
MW647.94 g/mol
LogP5.87
Rot. Bonds6

About [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate

[2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate (PubChem CID 139317505) has the molecular formula C37H65N3O6 and a molecular weight of 647.94 g/mol. Its IUPAC name is [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
PubChem CID139317505
Molecular FormulaC37H65N3O6
Molecular Weight647.94 g/mol
Exact Mass647.49
IUPAC Name[2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
SMILESCN1C(C)(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)NC(C)(C)C3)C2OC(=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C37H65N3O6/c1-32(2)17-23(18-33(3,4)38-32)29(41)44-26-15-16-27(45-30(42)24-19-34(5,6)39(13)35(7,8)20-24)28(26)46-31(43)25-21-36(9,10)40(14)37(11,12)22-25/h23-28,38H,15-22H2,1-14H3
InChIKeyLICVJRGQWXZARN-UHFFFAOYSA-N
XLogP5.87
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.94
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The IUPAC name of [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate (CID 139317505) is [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The canonical SMILES for [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate is CN1C(C)(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)NC(C)(C)C3)C2OC(=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
The InChIKey is LICVJRGQWXZARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H65N3O6/c1-32(2)17-23(18-33(3,4)38-32)29(41)44-26-15-16-27(45-30(42)24-19-34(5,6)39(13)35(7,8)20-24)28(26)46-31(43)25-21-36(9,10)40(14)37(11,12)22-25/h23-28,38H,15-22H2,1-14H3.
What are the key properties of [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate?
[2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate has a molecular weight of 647.94 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate is sourced from PubChem (CID 139317505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).