N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide

C28H54N4O2 — CID 90945994

IUPACN-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide
SMILESCC1CC(C)(C)N(N(C=O)CCCCCCN(C=O)N2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C28H54N4O2/c1-23-17-25(3,4)31(26(5,6)18-23)29(21-33)15-13-11-12-14-16-30(22-34)32-27(7,8)19-24(2)20-28(32,9)10/h21-24H,11-20H2,1-10H3
InChIKeyQZHWKZMJWOKSPA-UHFFFAOYSA-N
MW478.77 g/mol
LogP5.87
Rot. Bonds11

About N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide

N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide (PubChem CID 90945994) has the molecular formula C28H54N4O2 and a molecular weight of 478.77 g/mol. Its IUPAC name is N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide.

Molecular Properties

Compound NameN-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide
PubChem CID90945994
Molecular FormulaC28H54N4O2
Molecular Weight478.77 g/mol
Exact Mass478.42
IUPAC NameN-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide
SMILESCC1CC(C)(C)N(N(C=O)CCCCCCN(C=O)N2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C28H54N4O2/c1-23-17-25(3,4)31(26(5,6)18-23)29(21-33)15-13-11-12-14-16-30(22-34)32-27(7,8)19-24(2)20-28(32,9)10/h21-24H,11-20H2,1-10H3
InChIKeyQZHWKZMJWOKSPA-UHFFFAOYSA-N
XLogP5.87
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.77
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 11271554
N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide
CID 57083811
N-[5-[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pentyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 59202476
N-[2-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]ethyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide
CID 90916263
N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 91497108
N-[3-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]propyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide
CID 91605976
N-[1-[4-[2,2-dimethylpropyl(formyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl]-2,2,6,6-tetramethylpiperidin-4-yl]-N-(2-ethylhexyl)formamide
CID 174754010
4-[(1-Tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde
CID 158606190

Frequently Asked Questions

What is the IUPAC name of N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide?
The IUPAC name of N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide (CID 90945994) is N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide.
What is the SMILES notation for N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide?
The canonical SMILES for N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide is CC1CC(C)(C)N(N(C=O)CCCCCCN(C=O)N2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1.
What is the InChIKey of N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide?
The InChIKey is QZHWKZMJWOKSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O2/c1-23-17-25(3,4)31(26(5,6)18-23)29(21-33)15-13-11-12-14-16-30(22-34)32-27(7,8)19-24(2)20-28(32,9)10/h21-24H,11-20H2,1-10H3.
What are the key properties of N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide?
N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide has a molecular weight of 478.77 g/mol, XLogP of 5.87, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide is sourced from PubChem (CID 90945994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).