N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide

C26H48N4O4 — CID 170839064

IUPACN-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide
SMILESCC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)[N+](=O)C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C26H48N4O4/c1-23(2)15-21(16-24(3,4)29(23)33)27(19-31)13-11-9-10-12-14-28(20-32)22-17-25(5,6)30(34)26(7,8)18-22/h19-22H,9-18H2,1-8H3
InChIKeyULHALNOQUAOLTI-UHFFFAOYSA-N
MW480.69 g/mol
LogP4.48
Rot. Bonds11

About N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide

N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide (PubChem CID 170839064) has the molecular formula C26H48N4O4 and a molecular weight of 480.69 g/mol. Its IUPAC name is N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide
PubChem CID170839064
Molecular FormulaC26H48N4O4
Molecular Weight480.69 g/mol
Exact Mass480.37
IUPAC NameN-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide
SMILESCC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)[N+](=O)C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C26H48N4O4/c1-23(2)15-21(16-24(3,4)29(23)33)27(19-31)13-11-9-10-12-14-28(20-32)22-17-25(5,6)30(34)26(7,8)18-22/h19-22H,9-18H2,1-8H3
InChIKeyULHALNOQUAOLTI-UHFFFAOYSA-N
XLogP4.48
TPSA87.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.69
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide?
The IUPAC name of N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide (CID 170839064) is N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide.
What is the SMILES notation for N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide?
The canonical SMILES for N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide is CC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)[N+](=O)C(C)(C)C2)CC(C)(C)N1[O-].
What is the InChIKey of N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide?
The InChIKey is ULHALNOQUAOLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N4O4/c1-23(2)15-21(16-24(3,4)29(23)33)27(19-31)13-11-9-10-12-14-28(20-32)22-17-25(5,6)30(34)26(7,8)18-22/h19-22H,9-18H2,1-8H3.
What are the key properties of N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide?
N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide has a molecular weight of 480.69 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[formyl-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)formamide is sourced from PubChem (CID 170839064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).